Information card for entry 1519975

Structure parameters

• Chemical name: Methylammonium L-tartrate
• Formula: C5 H11 N O6
• Calculated formula: C5 H11 N O6
• SMILES: C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.C[NH3+]
• Title of publication: Methylammonium L-tartrate
• 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: 579
• a: 5.158 ± 0.0005 Å
• b: 5.3261 ± 0.0007 Å
• c: 7.5218 ± 0.0006 Å
• α: 78.735 ± 0.008°
• β: 83.33 ± 0.01°
• γ: 79.077 ± 0.011°
• Cell volume: 198.31 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No