Information card for entry 2018031

Structure parameters

• Chemical name: methyl 2-formamido-2-deoxy-β-D-glucopyranoside
• Formula: C8 H15 N O6
• Calculated formula: C8 H15 N O6
• SMILES: N([C@H]1[C@H](OC)O[C@@H]([C@@H](O)[C@@H]1O)CO)C=O
• Title of publication: Methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranoside dihydrate and methyl 2-formamido-2-deoxy-β-<small>D</small>-glucopyranoside
• Authors of publication: Hu, Xiaosong; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o146 - o150
• a: 4.5374 ± 0.0005 Å
• b: 15.8837 ± 0.0016 Å
• c: 6.8993 ± 0.0007 Å
• α: 90°
• β: 100.185 ± 0.004°
• γ: 90°
• Cell volume: 489.4 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0271
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes