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2,2,4,4-Tetra-tert-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde

Authors :
Christophe Siquet
M. J. M. de Almeida
José A. Paixão
Fernanda Borges
L. C. R. Andrade
Source :
Acta Crystallographica Section C Crystal Structure Communications. 62:o95-o97
Publication Year :
2006
Publisher :
International Union of Crystallography (IUCr), 2006.

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.

Details

ISSN :
01082701
Volume :
62
Database :
OpenAIRE
Journal :
Acta Crystallographica Section C Crystal Structure Communications
Accession number :
edsair.doi.dedup.....bafc8eb0405312d4a34f409afe13907b
Full Text :
https://doi.org/10.1107/s0108270105043052