Information card for entry 1519974

Structure parameters

• Chemical name: Methylammonium DL-tartrate monohydrate
• Formula: C5 H13 N O7
• Calculated formula: C5 H13 N O7
• SMILES: C(=O)([C@@H]([C@H](C(=O)O)O)O)[O-].C[NH3+].O.C(=O)([C@H]([C@@H](C(=O)O)O)O)[O-].C[NH3+].O
• Title of publication: Methylammonium DL-tartrate monohydrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 578
• a: 20.104 ± 0.004 Å
• b: 7.6296 ± 0.0015 Å
• c: 15.302 ± 0.003 Å
• α: 90°
• β: 129.99 ± 0.03°
• γ: 90°
• Cell volume: 1798.2 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No