Information card for entry 2228112

Structure parameters

• Chemical name: 6-Methyl-2-pyridyl <i>N</i>-acetyl-1-thio-β-D-glucosaminide methanol monosolvate
• Formula: C15 H24 N2 O6 S
• Calculated formula: C15 H24 N2 O6 S
• SMILES: S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)c1nc(ccc1)C.OC
• Title of publication: 6-Methyl-2-pyridyl <i>N</i>-acetyl-1-thio-β-<small>D</small>-glucosaminide methanol monosolvate
• Authors of publication: Chen, Bo; Guo, Miao; Jin, Wei-Hua; Wang, Yan-Wei; Liang, Hong-Ze
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2561
• a: 7.3841 ± 0.0015 Å
• b: 14.041 ± 0.003 Å
• c: 17.038 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1766.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes