Information card for entry 2209654

Structure parameters

• Chemical name: Bis(ethylammonium) tartrate monohydrate
• Formula: C8 H22 N2 O7
• Calculated formula: C8 H22 N2 O7
• SMILES: O=C([O-])[C@@H](O)[C@H](O)C(=O)[O-].O.[NH3+]CC.[NH3+]CC
• Title of publication: Bis(ethylammonium) (‒)-(2<i>S</i>,3<i>S</i>)-tartrate monohydrate
• Authors of publication: Wang, Zi-Liang; Wei, Lin-Heng; Li, Ming-Xue; Wang, Jing-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2691 - o2693
• a: 6.9983 ± 0.0012 Å
• b: 8.0652 ± 0.0014 Å
• c: 23.898 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1348.9 ± 0.4 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: 0.0464
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No