Information card for entry 1543873

Structure parameters

• Common name: L-methionine
• Chemical name: S-2-amino-4-(methylthio)butanoic acid
• Formula: C5 H11 N O2 S
• Calculated formula: C4.996 H10.992 N O2 S0.999
• 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: 9.5473 ± 0.0006 Å
• b: 5.183 ± 0.0003 Å
• c: 15.583 ± 0.001 Å
• α: 90°
• β: 94.98 ± 0.002°
• γ: 90°
• Cell volume: 768.19 ± 0.08 ų
• Cell temperature: 320 ± 2 K
• Ambient diffraction temperature: 320 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No