Information card for entry 2200365

Structure parameters

• Common name: Tartaric acid monohydrate
• Chemical name: 2,3-Dihydroxysuccinic acid monohydrate
• Formula: C4 H8 O7
• Calculated formula: C4 H8 O7
• SMILES: O=C(O)[C@H](O)[C@@H](O)C(=O)O.O.O=C(O)[C@@H](O)[C@H](O)C(=O)O.O
• Title of publication: Redetermination of racemic tartaric acid monohydrate
• Authors of publication: Nie, Jing-Jing; Xu, Duan-Jun; Wu, Jing-Yun; Chiang, Michael Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o428 - o429
• a: 4.869 ± 0.005 Å
• b: 8.052 ± 0.005 Å
• c: 9.153 ± 0.005 Å
• α: 109.26 ± 0.005°
• β: 99.862 ± 0.005°
• γ: 96.108 ± 0.005°
• Cell volume: 328.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No