Information card for entry 2005976

Structure parameters

• Formula: C23 H29 N O10
• Calculated formula: C23 H29 N O10
• SMILES: O1[C@H](N(C(=O)C)Cc2ccccc2)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1COC(=O)C
• Title of publication: <i>N</i>-Acetyl-2,3,4,6-tetra-<i>O</i>-acetyl-<i>N</i>-benzyl-β-<small>D</small>-glucopyranosylamine
• Authors of publication: Jesús Diánez, M.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 378 - 379
• a: 12.151 ± 0.001 Å
• b: 9.846 ± 0.001 Å
• c: 10.642 ± 0.001 Å
• α: 90°
• β: 107.14 ± 0.04°
• γ: 90°
• Cell volume: 1216.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1568
• Weighted residual factors for significantly intense reflections: 0.1275
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No