The lack of C2 molecular symmetry in (1R,2R,3S,6S)-3,6-dibenzyloxycyclohex-4-ene-1,2-diol

R W Clark; I A Guzei; S A Ivanov; S D Burke; W T Lambert

doi:10.1107/s0108270101006199

The lack of C2 molecular symmetry in (1R,2R,3S,6S)-3,6-dibenzyloxycyclohex-4-ene-1,2-diol

Acta Crystallogr C. 2001 Jul;57(Pt 7):844-5. doi: 10.1107/s0108270101006199. Epub 2001 Jul 9.

Authors

R W Clark¹, I A Guzei, S A Ivanov, S D Burke, W T Lambert

Affiliation

¹ Chemistry Department, University of Wisconsin-Madison, 1101 University Avenue, Madison, WI 53706, USA.

PMID: 11443261
DOI: 10.1107/s0108270101006199

Abstract

The results of a single-crystal X-ray experiment and density functional theory calculations performed for the title compound, C20H22O4, demonstrate that the lowest energy conformation of this molecule does not contain C2 molecular symmetry.

MeSH terms

Animals
Biological Factors / chemical synthesis
Biological Factors / chemistry*
Crystallography, X-Ray
Cyclohexanes / chemical synthesis
Cyclohexanes / chemistry*
Models, Molecular
Molecular Conformation
Porifera

Substances

3,6-dibenzyloxycyclohex-4-ene-1,2-diol
Biological Factors
Cyclohexanes