Information card for entry 2008617

Structure parameters

• Chemical name: (1S,2R)-di-p-methoxyphenyl ammonium alcohol-L-tartrate-water
• Formula: C20 H27 N O10
• Calculated formula: C20 H27 N O10
• SMILES: O(C)c1ccc(cc1)[C@H](O)[C@H]([NH3+])c1ccc(OC)cc1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O
• Title of publication: [2-Hydroxy-(1<i>S</i>,2<i>R</i>)-1,2-bis(4-methoxyphenyl)ethyl]ammonium <small>L</small>-tartrate hydrate
• Authors of publication: Jian, Liao; Chen, Daimo; Jiang, Yaozhong; Yu, Kaibei; Chan, Albert S. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: IUC9900053
• a: 7.153 ± 0.001 Å
• b: 11.035 ± 0.002 Å
• c: 26.824 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2117.3 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for all reflections: 0.826
• Goodness-of-fit parameter for significantly intense reflections: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes