Information card for entry 1543858

Structure parameters

• Common name: L-aminobutanoic acid
• Chemical name: S-2-aminobutanoic acid
• Formula: C4 H9 N O2
• Calculated formula: C4 H9 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: 9.6246 ± 0.0007 Å
• b: 5.2079 ± 0.0004 Å
• c: 43.103 ± 0.003 Å
• α: 90°
• β: 100.201 ± 0.002°
• γ: 90°
• Cell volume: 2126.3 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No