Information card for entry 1543865

Structure parameters

• Common name: L-norvaline
• Chemical name: S-2-aminopentanoic acid
• Formula: C5 H11 N O2
• Calculated formula: C5 H11 N O2
• 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: 9.5855 ± 0.0015 Å
• b: 5.1752 ± 0.0009 Å
• c: 27.959 ± 0.005 Å
• α: 90°
• β: 92.057 ± 0.005°
• γ: 90°
• Cell volume: 1386.1 ± 0.4 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No