Information card for entry 2213115

Structure parameters

• Common name: L-α-leucine
• Chemical name: 2-ammonio-4-methylpentanoate
• Formula: C6 H13 N O2
• Calculated formula: C6 H13 N O2
• SMILES: O=C([O-])[C@@H]([NH3+])CC(C)C
• Title of publication: A high-pressure polymorph of <small>L</small>-α-leucine
• Authors of publication: Yamashita, Motoi; Inomata, Shinsuke; Ishikawa, Kouki; Kashiwagi, Tatsuki; Matsuo, Hiroshi; Sawamura, Seiji; Kato, Minoru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2762 - o2764
• a: 8.807 ± 0.003 Å
• b: 5.975 ± 0.001 Å
• c: 14.193 ± 0.003 Å
• α: 90°
• β: 96.17 ± 0.02°
• γ: 90°
• Cell volume: 742.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections: 1.502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.502
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes