Information card for entry 2005173

Structure parameters

• Chemical name: DL-Norleucine
• Formula: C6 H13 N O2
• Calculated formula: C6 H13 N O2
• SMILES: O=C([O-])C([NH3+])CCCC
• Title of publication: <small>DL</small>-Norleucine, β Form at 120K
• Authors of publication: Dalhus, B.; Görbitz, C. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1761 - 1764
• a: 31.067 ± 0.005 Å
• b: 4.717 ± 0.001 Å
• c: 9.851 ± 0.002 Å
• α: 90°
• β: 91.37 ± 0.02°
• γ: 90°
• Cell volume: 1443.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.1075
• Goodness-of-fit parameter for all reflections: 0.914
• Goodness-of-fit parameter for significantly intense reflections: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No