Information card for entry 1543863

Structure parameters

• Common name: L-norvaline
• Chemical name: S-2-aminopentanoic acid
• Formula: C5 H11 N O2
• Calculated formula: C5 H11 N O2
• SMILES: [O-]C(=O)[C@@H]([NH3+])CCC
• Title of publication: An exceptional series of phase transitions in hydrophobic amino acids with linear side chains
• Authors of publication: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav
• Journal of publication: IUCrJ
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 5
• a: 9.604 ± 0.003 Å
• b: 5.1222 ± 0.0016 Å
• c: 13.352 ± 0.004 Å
• α: 90°
• β: 97.137 ± 0.007°
• γ: 90°
• Cell volume: 651.7 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No