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

The molecular structure of (1 R,2R,3S,6S)-3,6- dibenzyloxycyclohex-4-ene-1,2-diol was determined and its molecular symmetry discussed. It was shown through single-crystal X ray experiments and density functional theory (DFT) calculations that the lowest energy conformation of the compund did not contain molecular symmetry. The molecular symmetry of the structure was attributed to its conformational stability rather than by packing forces alone.