Crystal structure of 3,6-anhydro-α-D-glucosyl-1,4:3,6-dianhydro-β-D-fructoside

Abstract

The crystal structure of the title compound has been determined from three-dimensional data collected on a diffractometer. The structure was solved by direct methods, using phases refined by the tangent formula. The orthorhombic unit cell, space group P2₁2₁2₁ has dimensions: a= 6·437(1), b= 11·298(1), c= 16·754(1)Å with Z= 4. The structure was refined by least squares to R 0·071 for 991 independent reflections. The dehydrated sucrose compound has three extra rings, two on the furanose moiety causing strain about atoms C(3′) and C(4′). The additional ring in the pyranose group causes a change in conformation from the sucrose structure to one with axial hydroxy-groups, and equatorial hydrogen atoms.