title: 2,2,4,4-Tetra-tert-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde.
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.
authors.affiliation: CEMDRX, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, P-3004-516 Coimbra, Portugal.
authors.forename: L C R
authors.initials: LC
authors.lastname: Andrade
authors.forename: J A
authors.initials: JA
authors.lastname: Paixão
authors.forename: M J M
authors.initials: MJ
authors.lastname: de Almeida
authors.forename: C
authors.initials: C
authors.lastname: Siquet
authors.forename: F
authors.initials: F
authors.lastname: Borges