Information card for entry 2218134

Structure parameters

• Common name: L-Alanine hydrochloride monohydrate
• Chemical name: L-Alanine hydrochloride monohydrate
• Formula: C3 H10 Cl N O3
• Calculated formula: C3 H10 Cl N O3
• SMILES: [Cl-].C[C@@H](C(=O)O)[NH3+].O
• Title of publication: <small>L</small>-Alanine hydrochloride monohydrate
• Authors of publication: Yamada, Kazuhiko; Sato, Akira; Shimizu, Tadashi; Yamazaki, Toshio; Yokoyama, Shigeyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o806
• a: 6.1925 ± 0.0013 Å
• b: 9.929 ± 0.002 Å
• c: 11.759 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 723 ± 0.3 ų
• Cell temperature: 150 ± 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: 0.0195
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes