Information card for entry 2234856

Structure parameters

• Chemical name: (<i>R</i>)-(3-Carboxy-2-hydroxypropyl)trimethylazanium chloride
• Formula: C7 H16 Cl N O3
• Calculated formula: C7 H16 Cl N O3
• SMILES: [Cl-].OC(=O)C[C@@H](O)C[N+](C)(C)C
• Title of publication: (<i>R</i>)-(3-Carboxy-2-hydroxypropyl)trimethylazanium chloride
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1416
• a: 6.3043 ± 0.0003 Å
• b: 11.5256 ± 0.0007 Å
• c: 13.4905 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 980.23 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0286
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes