title: The lack of C2 molecular symmetry in (1R,2R,3S,6S)-3,6-dibenzyloxycyclohex-4-ene-1,2-diol.
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.
authors.affiliation: Chemistry Department, University of Wisconsin-Madison, 1101 University Avenue, Madison, WI 53706, USA.
authors.forename: R W
authors.initials: RW
authors.lastname: Clark
authors.forename: I A
authors.initials: IA
authors.lastname: Guzei
authors.forename: S A
authors.initials: SA
authors.lastname: Ivanov
authors.forename: S D
authors.initials: SD
authors.lastname: Burke
authors.forename: W T
authors.initials: WT
authors.lastname: Lambert
mesh_terms: D000818:Animals; D001685:Biological Factors / Q000138:chemical synthesis / Q000737:chemistry*; D018360:Crystallography, X-Ray; D003510:Cyclohexanes / Q000138:chemical synthesis / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D011161:Porifera
chemical_list: C435325:3,6-dibenzyloxycyclohex-4-ene-1,2-diol; D001685:Biological Factors; D003510:Cyclohexanes