Information card for entry 2205486

Structure parameters

• Chemical name: (S)-2-amino-1-butanol (2R,3R)-tartrate
• Formula: C8 H17 N O7
• Calculated formula: C8 H17 N O7
• SMILES: O=C(O)[C@H](O)[C@@H](O)C(=O)[O-].C([C@H](CC)[NH3+])O
• Title of publication: (<i>S</i>)-2-Ammoniobutan-1-ol (2<i>R</i>,3<i>R</i>)-tartrate
• Authors of publication: Bai, Guo-Yi; Chen, Li-Gong; Li, Yang; Yan, Xi-Long; Xing, Peng; Dong, Chuan-Ming; Duan, Xue-Min; Zhang, Yue-Cheng; Ge, Feng-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1125 - o1126
• a: 7.2959 ± 0.0007 Å
• b: 9.4843 ± 0.0009 Å
• c: 16.0204 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1108.56 ± 0.19 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: 0.0328
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes