Information card for entry 2229240

Structure parameters

• Chemical name: 1,2,3,3',4',6'-Hexaacetyl-4,6-<i>O</i>-benzylidenesucrose
• Formula: C31 H38 O17
• Calculated formula: C31 H38 O17
• SMILES: O([C@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@H](OC(=O)C)[C@H]1OC(=O)C)[C@@]1(O[C@@H]([C@@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C)COC(=O)C
• Title of publication: 1,2,3,3',4',6'-Hexaacetyl-4,6-<i>O</i>-benzylidenesucrose
• Authors of publication: Brito-Arias, Marco A.; Soto-Ortega, Miguel; García-Báez, Efrén V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o486
• a: 8.2018 ± 0.0002 Å
• b: 18.6416 ± 0.0003 Å
• c: 22.0994 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3378.88 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes