Information card for entry 2006440

Structure parameters

• Formula: C8 H15 N O6
• Calculated formula: C8 H15 N O6
• SMILES: N([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C(=O)C
• Title of publication: β-1-<i>N</i>-Acetamido-<small>D</small>-glucopyranose
• Authors of publication: Sriram, D.; Sreenivasan, H.; Srinivasan, S.; Priya, K.; Vishnu Thirtha, M.; Loganathan, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1075 - 1077
• a: 7.8642 ± 0.0013 Å
• b: 9.423 ± 0.004 Å
• c: 14.008 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1038.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.0697
• Goodness-of-fit parameter for all reflections: 1.111
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No