Information card for entry 2005171

Structure parameters

• Chemical name: L-leucine
• Formula: C6 H13 N O2
• Calculated formula: C6 H13 N O2
• SMILES: O=C([O-])[C@@H]([NH3+])CC(C)C
• Title of publication: Redetermination of <small>L</small>-Leucine at 120K
• Authors of publication: Görbitz, C. H.; Dalhus, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1754 - 1756
• a: 9.562 ± 0.002 Å
• b: 5.301 ± 0.001 Å
• c: 14.519 ± 0.003 Å
• α: 90°
• β: 94.2 ± 0.02°
• γ: 90°
• Cell volume: 734 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.1015
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No