The crystal structure and conformational analysis of substituted 2,7-dioxabicyclo[4,1,0]heptanes: 1,2-anhydro-3,4,6-tri-O-benzyl-beta-D-talopyranose.
The title compound, C28H27O5, is triclinic, space group P1 with unit cell dimensions a = 12.763(2), b = 11.130(2), c = 4.764(3) A, alpha = 73.78(3), beta = 82.89(3), gamma = 62.16(1) degrees, V = 574.8(4) A3, and Z = 1. The pyranose ring has an 4H5 conformation with some flattening at C-4. Molecular mechanisms calculations indicate that the 4H5 conformation of the pyranose ring in the title compound is the most stable conformation.
Li
G
G
Institute of Physical Chemistry, Peking University, Beijing, China.
Jiang
L
L
Kong
F
F
Liu
J
J
D002236:Carbohydrate Conformation; D006601:Hexoses / Q000737:chemistry*; D008958:Models, Molecular; D014961:X-Ray Diffraction / Q000379:methods
D006601:Hexoses; C083999:1,2-anhydro-3,4,6-tri-O-benzyltalopyranose