The immediate effects of lavender-based essential oil inhalation on subsequent polysomnography in people with poor sleep quality.

BACKGROUND: Although aromatherapy is considered an adjuvant therapy to promote sleep quality, few objective sleep testing instruments can confirm the effects of aromatherapy on sleep physiology. The purpose of this study was to confirm and compare the immediate effects of a single lavender essential oil (SLEO) group to a complex lavender essential oil (CLEO) group by objective polysomnography (PSG) recordings. METHODS: Participants were randomly divided into the SLEO group and CLEO group in this single-blind trial to explore the sleep effect of essential oil aroma. All the participants completed the sleep-related questionnaires and underwent two consecutive nights of PSG recordings, who had one night without aromatherapy and one night with one of the two aromas randomly assigned to them. RESULTS: Total of 53 participants were recruited for this study, 25 participants were in the SLEO group, and 28 were in the CLEO group. Baseline characteristics and sleep-related questionnaires were similar in both groups. Both SLEO and CLEO extended the total sleep time (TST) (Δ = 43.42 and 23.75 minutes, respectively) and sleep period time (SPT) (Δ = 38.86 and 24.07 minutes, respectively). The SLEO group further improved sleep efficiency and increased the amounts of non-rapid eye movement (NREM) and rapid eye movement (REM) sleep and decreased spontaneous arousals. However, there was no significant difference in PSG parameters between the SLEO and CLEO groups. CONCLUSION: Both SLEO and CLEO extended TST and SPT, with no significant differences between these two groups. These results warrant practical applications and merit future studies (Clinical trial registration: ClinicalTrials.gov : NCT03933553).

Syntheses, Reactivities, Characterization, and Crystal Structures of Dipalladium Complexes Containing the 1,3-pyrimidinyl Ligand: Structures of [Pd(PPh3)(Br)]2(µ,η2-C4H3N2)2, [Pd(Br)]2(µ,η2-Hdppa)2, and [{Pd(PPh3)(CH3CN)}2(µ,η2-C4H3N2)2][BF4]2.

In a refluxing chloroform solution, the η1-pyrimidinyl {pyrimidinyl = C4H3N2} palladium complex [Pd(PPh3)2(η1-C4H3N2)(Br)], 1 exhibited intermolecular displacement of two triphenylphosphine ligands to form the doubly bridged η2-pyrimidinyl Dipalladium complex [Pd(PPh3)(Br)]2(µ,η2-C4H3N2)2, 3. The treatment of 1 with Hdppa {Hdppa = N,N-bisdiphenyl phosphinoamine} in refluxing dichloromethane yielded the doubly bridged Hdppa dipalladium complex [Pd(Br)]2(µ,η2-Hdppa)2, 4. Complex 1 reacted with the bidentate ligand, NH4S2CNC4H8 and, NaS2COEt, and the tridentate ligand, KTp {Tp = tris(pyrazoyl-1-yl)borate}, to form the η2-dithio η1-pyrimidinyl complex [Pd(PPh3)(η1-C4H3N2)(η2-SS)], (5: SS = S2CNC4H8; 6: SS = S2COEt) and η2-Tp η1-pyrimidinyl complex [Pd(PPh3)(η1-C4H3N2)(η2-Tp)], 7, respectively. Treatment of 1 with AgBF4 in acetonitrile at room temperature resulted in the formation of the doubly bridged η2-pyrimidinyl dipalladium complex [{Pd(PPh3)(CH3CN)}2(µ,η2-C4H3N2)2][BF4]2, 8. All of the complexes were identified using spectroscopic methods, and complexes 3, 4, and 8 were determined using single-crystal X-ray diffraction analyses.

Anti-oxidant activity and major chemical component analyses of twenty-six commercially available essential oils.

This study analyzed 26 commercially available essential oils and their major chemical components to determine their antioxidant activity levels by measuring their total phenolic content (TPC), reducing power (RP), ß-carotene bleaching (BCB) activity, trolox equivalent antioxidant capacity (TEAC), and 1,1-diphenyl-2-picrylhydrazyl free radical scavenging (DFRS) ability. The clove bud and thyme borneol essential oils had the highest RP, BCB activity levels, and TPC values among the 26 commercial essential oils. Furthermore, of the 26 essential oils, the clove bud and ylang ylang complete essential oils had the highest TEAC values, and the clove bud and jasmine absolute essential oils had the highest DFRS ability. At a concentration of 2.5 mg/mL, the clove bud and thyme borneol essential oils had RP and BCB activity levels of 94.56% ± 0.06% and 24.64% ± 0.03% and 94.58% ± 0.01% and 89.33% ± 0.09%, respectively. At a concentration of 1 mg/mL, the clove bud and thyme borneol essential oils showed TPC values of 220.00 ± 0.01 and 69.05 ± 0.01 mg/g relative to gallic acid equivalents, respectively, and the clove bud and ylang ylang complete essential oils had TEAC values of 809.00 ± 0.01 and 432.33 ± 0.01 µM, respectively. The clove bud and jasmine absolute essential oils showed DFRS abilities of 94.13% ± 0.01% and 78.62% ± 0.01%, respectively. Phenolic compounds of the clove bud, thyme borneol and jasmine absolute essential oils were eugenol (76.08%), thymol (14.36%) and carvacrol (12.33%), and eugenol (0.87%), respectively. The phenolic compounds in essential oils were positively correlated with the RP, BCB activity, TPC, TEAC, and DFRS ability.

Dual bioactivities of essential oil extracted from the leaves of Artemisia argyi as an antimelanogenic versus antioxidant agent and chemical composition analysis by GC/MS.

The study was aimed at investigating the antimelanogenic and antioxidant properties of essential oil when extracted from the leaves of Artemisia argyi, then analyzing the chemical composition of the essential oil. The inhibitory effect of the essential oil on melanogenesis was evaluated by a mushroom tyrosinase activity assay and B16F10 melanoma cell model. The antioxidant capacity of the essential oil was assayed by spectrophotometric analysis, and the volatile chemical composition of the essential oil was analyzed with gas chromatography-mass spectrometry (GC/MS). The results revealed that the essential oil significantly inhibits mushroom tyrosinase activity (IC(50) = 19.16 mg/mL), down-regulates B16F10 intracellular tyrosinase activity and decreases the amount of melanin content in a dose-dependent pattern. Furthermore, the essential oil significantly scavenged 2,2-diphenyl-1-picryl-hydrazyl (DPPH) and 2,2'-azino-bis (3-ethylbenzthiazoline-6-sulphonic acid) ABTS radicals, showed an apparent reduction power as compared with metal-ion chelating activities. The chemicals constituents in the essential oil are ether (23.66%), alcohols (16.72%), sesquiterpenes (15.21%), esters (11.78%), monoterpenes (11.63%), ketones (6.09%), aromatic compounds (5.01%), and account for a 90.10% analysis of its chemical composition. It is predicted that eucalyptol and the other constituents, except for alcohols, in the essential oil may contribute to its antioxidant activities. The results indicated that essential oil extracted from A. argyi leaves decreased melanin production in B16F10 cells and showed potent antioxidant activity. The essential oil can thereby be applied as an inhibitor of melanogenesis and could also act as a natural antioxidant in skin care products.

Inhibition of melanogenesis versus antioxidant properties of essential oil extracted from leaves of Vitex negundo Linn and chemical composition analysis by GC-MS.

This study was aimed at investigating the antimelanogenic and antioxidative properties of the essential oil extracted from leaves of V. negundo Linn and the analysis of the chemical composition of this essential oil. The efficacy of the essential oil was evaluated spectrophotometrically, whereas the volatile chemical compounds in the essential oil were analyzed by gas chromatography-mass spectrometry (GC-MS). The results revealed that the essential oil effectively suppresses murine B16F10 tyrosinase activity and decreases the amount of melanin in a dose-dependent manner. Additionally, the essential oil significantly scavenged 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2'-azino-bis(3-ethylbenzthiazoline-6-sulphonic acid) (ABTS) radicals, and showed potent reducing power versus metal-ion chelating properties in a dose-dependent pattern. The chemical constituents in the essential oil are sesquiterpenes (44.41%), monoterpenes (19.25%), esters (14.77%), alcohols (8.53%), aromatic compound (5.90%), ketone (4.96%), ethers (0.4%) that together account for 98.22% of its chemical composition. It is predicted that the aromatic compound in the essential oil may contribute to its antioxidant activities. The results indicated that essential oil extracted from V. negundo Linn leaves decreased melanin production in B16F10 melanoma cells and showed potent antioxidant activities. The essential oil can thereby serve as an inhibitor of melanin synthesis and could also act as a natural antioxidant.

Synthesis and characterization of [Ir(1,5-cyclooctadiene)(µ-H)]4: a tetrametallic Ir4H4-core, coordinatively unsaturated cluster.

Reported herein is the synthesis of the previously unknown [Ir(1,5-COD)(µ-H)](4) (where 1,5-COD = 1,5-cyclooctadiene), from commercially available [Ir(1,5-COD)Cl](2) and LiBEt(3)H in the presence of excess 1,5-COD in 78% initial, and 55% recrystallized, yield plus its unequivocal characterization via single-crystal X-ray diffraction (XRD), X-ray absorption fine structure (XAFS) spectroscopy, electrospray/atmospheric pressure chemical ionization mass spectrometry (ESI-MS), and UV-vis, IR, and nuclear magnetic resonance (NMR) spectroscopies. The resultant product parallels--but the successful synthesis is different from, vide infra--that of the known and valuable Rh congener precatalyst and synthon, [Rh(1,5-COD)(µ-H)](4). Extensive characterization reveals that a black crystal of [Ir(1,5-COD)(µ-H)](4) is composed of a distorted tetrahedral, D(2d) symmetry Ir(4) core with two long [2.90728(17) and 2.91138(17) Å] and four short Ir-Ir [2.78680 (12)-2.78798(12) Å] bond distances. One 1,5-COD and two edge-bridging hydrides are bound to each Ir atom; the Ir-H-Ir span the shorter Ir-Ir bond distances. XAFS provides excellent agreement with the XRD-obtained Ir(4)-core structure, results which provide both considerable confidence in the XAFS methodology and set the stage for future XAFS in applications employing this Ir(4)H(4) and related tetranuclear clusters. The [Ir(1,5-COD)(µ-H)](4) complex is of interest for at least five reasons, as detailed in the Conclusions section.

The Dual Antimelanogenic and Antioxidant Activities of the Essential Oil Extracted from the Leaves of Acorus macrospadiceus (Yamamoto) F. N. Wei et Y. K. Li.

The antimelanogenic and antioxidant activities of the essential oil extracted from the leaves of Acorus macrospadiceus (Yamamoto) F. N. Wei et Y. K. Li have never been explored. The essential oil effectively inhibited mushroom tyrosinase activity (EC(50) = 1.57 mg/mL) and B16F10 tyrosinase activity (IC(50) = 1.01 mg/mL), decreased the melanin content (EC(50) = 1.04 mg/mL), and depleted the cellular level of the reactive oxygen species (ROS) (EC(50) = 1.87 mg/mL). The essential oil effectively scavenged 2,2-diphenyl-1-picryl-hydrazyl (DPPH) (EC(50) = 0.121 mg/mL) and 2,2'-azino-bis (3-ethylbenzthiazoline-6-sulphonic acid) ABTS(+) radicals (EC(50) = 0.122 mg/mL). It also exhibited an apparent reducing power (EC(50) = 0.021 mg/mL) and metal-ion chelating activity (EC(50) = 0.029 mg/mL). The chemical constituents of the essential oil are ethers (55.73%), ketones (19.57%), monoterpenes (7.82%), alcohols (3.85%), esters (3.77%), sesquiterpenes (3.72%), and aromatic compounds (2.85%). The results confirm that A. macrospadiceus essential oil is a natural antioxidant and inhibitor of melanogenesis.

trans-Iodido(pyrazinyl-κC(2))bis-(triphenyl-phosphane-κP)palladium(II).

There are two independent mol-ecules with similar configurations in the asymmetric unit of the title complex, [Pd(C(4)H(3)N(2))I(C(18)H(15)P)(2)]. In each mol-ecule, the geometry around the Pd atom is distorted square-planar, with the Pd atom displaced by 0.0549 (12) and 0.0734 (13) Šfrom the least-squares plane of the I-P-P-C atoms. The PPh(3) ligands are in trans positions, with P-Pd-P angles of 173.12 (4) and 170.29 (4)°, while the pyrazinyl ligands and I atoms, also trans to each other, form C-Pd-I angles of 179.38 (12) and 178.44 (12)°. In the crystal, C-H⋯π inter-actions occur, resulting in a three-dimensional supramolecular architecture.

trans-Bromido(pyrimidinyl-κC)bis-(triphenyl-phosphane-κP)palladium(II).

In the title complex, [PdBr(C(4)H(3)N(2))(C(18)H(15)P)(2)], the geometry around the Pd atom is distorted square-planar with the Pd atom displaced by 0.0334 (14) Šfrom the BrP(2)C plane. The two Ph(3)P ligands are in trans positions, defining a P-Pd-P angle of 171.78 (5)°, while the pyrimidinyl and bromide ligands are trans to each other [C-Pd-Br = 174.63 (14)°].

A study of four antioxidant activities and major chemical component analyses of twenty-five commonly used essential oils.

Twenty-five essential oils and their major chemical components were screened for their possible antioxidant activities by assaying their DPPH free-radical scavenging activity (DFRS), total phenolic contents (TPC), trolox equivalent antioxidant capacity (TEAC), and ferric thiocyanate (FTC). Based on the TPC and TEAC assays, the essential oil ajowan is among the best essential oils studied. Furthermore, the DFRS and FTC assays reveal that the essential oils cinnamon bark extra and oregano are also among the best oils studied. More specifically, at a concentration of 1 mg ml(-1), the essential oils cinnamon bark extra and benzoin showed 93.75 ± 0.01% and 90.64 ± 0.01% DFRS, while the essential oils ajowan and oregano showed TEAC values of 4374.72 ± 0.01 and 4023.49 ± 0.01 µM of trolox per mg, respectively. In addition, the essential oils oregano and ajowan showed 29.17 ± 0.02% and 25.26 ± 0.03% FTC based on the assay results. At a concentration of 10 mg ml(-1), the essential oils ajowan and oregano showed 1845.20 ± 0.04 and 1665.36 ± 0.04 µg of TPC relative to GAE, respectively. Two major chemical components of the essential oils cinnamon bark extra, ajowan, and oregano were trans-cinnamaldehyde (90.61%), eugenol (2.58%), carvacrol (61.20%), p-cymene (37.44%), thymol (77.09%), and p-cymene (10.01%). It is clear that phenolic compounds in the aforementioned essential oils yield a positive correlation with the DFRS, TPC, TEAC, and FTC assays.

Industrial Ziegler-type hydrogenation catalysts made from Co(neodecanoate)2 or Ni(2-ethylhexanoate)2 and AlEt3: evidence for nanoclusters and sub-nanocluster or larger Ziegler-nanocluster based catalysis.

Ziegler-type hydrogenation catalysts are important for industrial processes, namely, the large-scale selective hydrogenation of styrenic block copolymers. Ziegler-type hydrogenation catalysts are composed of a group 8-10 transition metal precatalyst plus an alkylaluminum cocatalyst (and they are not the same as Ziegler-Natta polymerization catalysts). However, for ∼50 years two unsettled issues central to Ziegler-type hydrogenation catalysis are the nature of the metal species present after catalyst synthesis, and whether the species primarily responsible for catalytic hydrogenation activity are homogeneous (e.g., monometallic complexes) or heterogeneous (e.g., Ziegler nanoclusters defined as metal nanoclusters made from combination of Ziegler-type hydrogenation catalyst precursors). A critical review of the existing literature (Alley et al. J. Mol. Catal. A: Chem. 2010, 315, 1-27) and a recently published study using an Ir model system (Alley et al. Inorg. Chem. 2010, 49, 8131-8147) help to guide the present investigation of Ziegler-type hydrogenation catalysts made from the industrially favored precursors Co(neodecanoate)(2) or Ni(2-ethylhexanoate)(2), plus AlEt(3). The approach and methods used herein parallel those used in the study of the Ir model system. Specifically, a combination of Z-contrast scanning transmission electron microscopy (STEM), matrix assisted laser desorption ionization mass spectrometry (MALDI MS), and X-ray absorption fine structure (XAFS) spectroscopy are used to characterize the transition metal species both before and after hydrogenation. Kinetic studies including Hg(0) poisoning experiments are utilized to test which species are the most active catalysts. The main findings are that, both before and after catalytic cyclohexene hydrogenation, the species present comprise a broad distribution of metal cluster sizes from subnanometer to nanometer scale particles, with estimated mean cluster diameters of about 1 nm for both Co and Ni. The XAFS results also imply that the catalyst solutions are a mixture of the metal clusters described above, plus unreduced metal ions. The kinetics-based Hg(0) poisoning evidence suggests that Co and Ni Ziegler nanoclusters (i.e., M(≥4)) are the most active Ziegler-type hydrogenation catalysts in these industrial systems. Overall, the novelty and primary conclusions of this study are as follows: (i) this study examines Co- and Ni-based catalysts made from the actual industrial precursor materials, catalysts that are notoriously problematic regarding their characterization; (ii) the Z-contrast STEM results reported herein represent, to our knowledge, the best microscopic analysis of the industrial Co and Ni Ziegler-type hydrogenation catalysts; (iii) this study is the first explicit application of an established method, using multiple analytical methods and kinetics-based studies, for distinguishing homogeneous from heterogeneous catalysis in these Ziegler-type systems; and (iv) this study parallels the successful study of an Ir model Ziegler catalyst system, thereby benefiting from a comparison to those previously unavailable findings, although the greater M-M bond energy, and tendency to agglomerate, of Ir versus Ni or Co are important differences to be noted. Overall, the main result of this work is that it provides the leading hypothesis going forward to try to refute in future work, namely, that sub, M(≥4) to larger, M(n) Ziegler nanoclusters are the dominant, industrial, Co- and Ni- plus AlR(3) catalysts in Ziegler-type hydrogenation systems.

Bis(carbonyl-κC)(N,N-dimethyl-thio-carbamoyl-κC,S)(pyridine-2-thiol-ato-κN,S)(triphenyl-phosphine-κP)molybdenum(II).

There are two independent mol-ecules with similar configurations in the title complex, [Mo(C(3)H(6)NS)(C(5)H(4)NS)(C(18)H(15)P)(CO)(2)]. The geometry around the metal atom is that of a capped octa-hedron. The thio-cabamoyl and pyridine-2-thiol-ate ligands coordinate to the molybdenum metal center through the C and S atoms, and N and S atoms, respectively. NMR, IR and MS analyses are in agreement with the structure of the title compound.

Dicarbonyl-chlorido(phen-oxy-thio-carbonyl-κC,S)bis-(triphenyl-phosphane-κP)molybdenum(II).

In the title complex, [Mo(C(7)H(5)OS)Cl(C(18)H(15)P)(2)(CO)(2)], the geometry around the metal atom is a capped octa-hedron. The phen-oxy-thio-carbonyl ligand coordinates the Mo(II) atom through the C and S atoms. A one-dimensional structure is formed by π-π inter-molecular inter-actions and a supra-molecular aggregation is determined by inter-molecular C-H⋯O, C-H⋯Cl, C-H⋯π(arene) hydrogen bonds and CO⋯π(arene) inter-actions [O⋯centroid distances = 3.485 (4) and 3.722 (3) Å].

trans-Bromido(pyrimidinyl-κC)bis-(triphenyl-phosphane-κP)palladium(II).

In the title complex, [PdBr(C(4)H(3)N(2))(C(18)H(15)P)(2)], the geometry around the Pd(II) atom is distorted square-planar with the Pd(II) atom displaced by 0.0150 (5) Šfrom the least-squares BrP(2)C plane. Two PPh(3) ligands are in trans positions [P-Pd-P = 176.743 (17)°], while the pyrimidinyl ligand and Br atom are trans to one another [C-Pd-Br = 176.56 (5)°]. Structural parameters from NMR, IR and mass spectra are in agreement with the crystal structure of the title compound.

[(Pyrrolidin-1-yl)carbothio-ylsulfan-yl]methyl pyrrolidine-1-carbodithio-ate.

The title compound, C(11)H(18)N(2)S(4), was unexpectedly obtained during studies on the reactivity of the complex tris-(acac-κ(2)O,O')gallium(III) (acac is acetyl-acetonate) with C(4)H(8)NCS(2)H in dichloro-methane. The title compound shows disordered two pyrrolidine rings with major and minor occupancies of 0.546 (4) and 0.454 (4). Two (pyrrolidin-1-yl)carbothio-ylsulfanyl units are linked together through a methyl-ene C atom and weak C-H⋯S inter-actions are found.

DPPH free-radical scavenging ability, total phenolic content, and chemical composition analysis of forty-five kinds of essential oils.

Forty-five kinds of commonly used essential oils were employed to investigate the DPPH (1,1-diphenyl-2-picrylhydrazyl) radical scavenging ability and total phenolic content of major chemical compositions. The free-radical scavenging ability and total phenolic content of cinnamon leaf and clove bud essential oils are the best among these essential oils. One-half milliliter of cinnamon leaf and clove bud essential oils (10 mg/ml EtOH) are shown to be 96.74% and 96.12% of the DPPH (2.5 ml, 1.52x10(-4) M) free-radical scavenging ability, respectively. Their EC50 (effective concentrations) are 53 and 36 (microg/ml). One milligram per milliliter of cinnamon leaf, clove bud, and thyme red essential oils were shown to be 420, 480, and 270 (mg/g of GAE) of total phenolic content, respectively. Eugenol in cinnamon leaf and clove bud essential oils (82.87% and 82.32%, respectively) were analyzed by GC-MS. It is clear that the amounts of the phenol compounds in essential oils and the DPPH free-radical scavenging ability are in direct proportion.

Syntheses, reactivity, and crystal structures of molybdenum complexes with pyridine-2-thionate (pyS)-containing ligands: crystal structures of [Mo(eta(3)-C(3)H(5))(CO)(2)](2)(mu-eta(1),eta(2)-pyS)(2), exo-[Mo(eta(3)-C(3)H(5))(CO)(eta(2)-pyS)(eta(2)-dppe)], [Mo(CO)(3)(eta(1)-SC(5)H(4)NH)(eta(2)-dppm)], and [Mo(CO)(eta(2)-pyS)(2)(eta(2)-dppm)].

The doubly bridged pyridine-2-thionate (pyS) dimolybdenum complex [Mo(eta(3)-C(3)H(5))(CO)(2)](2)(mu-eta(1),eta(2)-pyS)(2) (1) is accessible by the reaction of [Mo(eta(3)-C(3)H(5))(CO)(2)(CH(3)CN)(2)Br] with pySK in methanol at room temperature. Complex 1 reacts with piperidine in acetonitrile to give the complex [Mo(eta(3)-C(3)H(5))(CO)(2)(eta(2)-pyS)(C(5)H(10)NH)] (2). Treatment of 1 with 1,10-phenanthroline (phen) results in the formation of complex [Mo(eta(3)-C(3)H(5))(CO)(2)(eta(1)-pyS)(phen)] (3), in which the pyS ligand is coordinated to Mo through the sulfur atom. Four conformational isomers, endo,exo-complexes [Mo(eta(3)-C(3)H(5))(CO)(eta(2)-pyS)(eta(2)-diphos)] (diphos = dppm, 4a-4d; dppe, 5a-5d), are accessible by the reactions of 1 with dppm and dppe in refluxing acetonitrile. Homonuclear shift-correlated 2-D (31)P((1)H)-(31)P((1)H) NMR experiments of the mixtures 4a-4d have been employed to elucidate the four stereoisomers. The reaction of 4 and pySK or [Mo(CO)(3)(eta(1)-SC(5)H(4)NH)(eta(2)-dppm)] (6) and O(2) affords allyl-displaced seven-coordinate bis(pyridine-2-thionate) complex [Mo(CO)(eta(2)-pyS)(2)(eta(2)-dppm)] (7). All of the complexes are identified by spectroscopic methods, and complexes 1, 5d, 6, and 7 are determined by single-crystal X-ray diffraction. Complexes 1 and 5d crystallize in the orthorhombic space groups Pbcn and Pbca with Z = 4 and 8, respectively, whereas 6 belongs to the monoclinic space group C2/c with Z = 8 and 7 belongs to the triclinic space group Ponemacr; with Z = 2. The cell dimensions are as follows: for 1, a = 8.3128(1) A, b = 16.1704(2) A, c = 16.6140(2) A; for 5d, a = 17.8309(10) A, b = 17.3324(10) A, c = 20.3716(11) A; for 6, a = 18.618(4) A, b = 16.062(2) A, c = 27.456(6) A, beta = 96.31(3) degrees; for 7, a = 9.1660(2) A, b = 12.0854(3) A, c = 15.9478(4) A, alpha = 78.4811(10) degrees, beta = 80.3894(10) degrees, gamma = 68.7089(11) degrees.