Information card for entry 2213999

Structure parameters

• Chemical name: 1,5-Di-<i>O</i>-acetyl-2,3,4-tri-<i>O</i>-benzyl-α-<i>D</i>-mannopyranoside
• Formula: C31 H34 O8
• Calculated formula: C31 H34 O8
• SMILES: O1[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OC(=O)C)COC(=O)C
• Title of publication: 1,5-Di-<i>O</i>-acetyl-2,3,4-tri-<i>O</i>-benzyl-α-<small>D</small>-mannopyranoside
• Authors of publication: Zi-Jie Liu; Dong Han; Lin-Na Wang; Xiang-Bao Meng; Zhong-Jun Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2975 - o2975
• a: 24.001 ± 0.003 Å
• b: 24.001 ± 0.003 Å
• c: 13.441 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6705.3 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes