2,2,4,4-Tetra-tert-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde.
Acta Crystallogr C
; 62(Pt 2): o95-7, 2006 Feb.
Article
em En
| MEDLINE
| ID: mdl-16456297
ABSTRACT
The molecule of the title compound, C23H40O4Si2, features an approximate non-crystallographic C2 symmetry axis. The aldehyde group is disordered over two positions with similar occupancies. The geometry of the isolated molecule was studied by ab initio quantum mechanical calculations employing a molecular orbital Hartree-Fock method. The calculations reproduce well the equilibrium geometry but slightly overestimate the value of the Si-O bond lengths of the trioxadisilepine ring.
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01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr C
Ano de publicação:
2006
Tipo de documento:
Article
País de afiliação:
Portugal