Information card for entry 2217266

Structure parameters

• Chemical name: 3,4-Dicyanophenyl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside
• Formula: C22 H22 N2 O10
• Calculated formula: C22 H22 N2 O10
• SMILES: O(c1cc(C#N)c(C#N)cc1)[C@@H]1O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C
• Title of publication: 3,4-Dicyanophenyl 2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranoside
• Authors of publication: Bin, Yuejing; Zhao, Fuqun; Zhang, Fushi; Wang, Ru-Ji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o63 - o63
• a: 8.175 ± 0.002 Å
• b: 10.2076 ± 0.001 Å
• c: 29.562 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2466.9 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.1234
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes