Information card for entry 2209124

Structure parameters

• Chemical name: L-valinium chloride monohydrate
• Formula: C5 H14 Cl N O3
• Calculated formula: C5 H14 Cl N O3
• SMILES: [Cl-].OC(=O)[C@@H]([NH3+])C(C)C.O
• Title of publication: Redetermination of <small>L</small>-valinium chloride monohydrate
• Authors of publication: Mei-Chao Li; Chen-Shui Lin; Ya-Qin Li; Lin He; Zhi-Min Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2235 - o2236
• a: 6.155 ± 0.001 Å
• b: 6.828 ± 0.001 Å
• c: 21.099 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 886.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes