The X-ray crystal structure of dl-(1,3,5/2,4)-1,2,3,4-tetraacetoxy-5-(acetoxymethyl)cyclohexane

The crystal and molecular structure of thepseudo-sugar dl -(1,3,5/2,4)-1.2.3.4-tetraacetoxy-5-(acetoxymethyl)cyclohexane (“pseudo-β- dl -glucopyranose pentaacetate”) has been determined by X-ray diffraction and statistical-phasing procedures. The data were refined to R = 0.049 and R w = 0.054 over 1543 reflections with I greater than 3σ(I). The racemic crystals are monoclinic, space group P 2 1 / c, a = 11.580(2), b = 8.276(1), c = 22.031(2) Å, β = 104.33(1)°, D c = 1.26g/cm 3 , with four molecules in the unit cell. The ring has a 4 C 1 ( d ), 1 C f ( l ) conformation, with puckering amplitude of 0.582(4) Å, a pseudorotation angle of −168.35°, and a gg orientation about the C-5C-6 bond.