Information card for entry 1543869

Structure parameters

• Common name: L-norleucine
• Chemical name: S-2-aminohexanoic acid
• Formula: C6 H13 N O2
• Calculated formula: C6 H13 N O2
• SMILES: [O-]C(=O)[C@@H]([NH3+])CCCC
• 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: 9.5633 ± 0.0015 Å
• b: 5.2287 ± 0.0009 Å
• c: 15.674 ± 0.003 Å
• α: 90°
• β: 93.695 ± 0.005°
• γ: 90°
• Cell volume: 782.1 ± 0.2 ų
• Cell temperature: 330 ± 2 K
• Ambient diffraction temperature: 330 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No