Information card for entry 2004998

Structure parameters

• Chemical name: L-isoleucine
• Formula: C6 H13 N O2
• Calculated formula: C6 H13 N O2
• Title of publication: L-Isoleucine, Redetermination at 120 K
• Authors of publication: Görbitz, Carl Henrik; Dalhus, Bjørn
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1464 - 1466
• a: 9.681 ± 0.005 Å
• b: 5.301 ± 0.003 Å
• c: 13.956 ± 0.006 Å
• α: 90°
• β: 96.16 ± 0.04°
• γ: 90°
• Cell volume: 712.1 ± 0.6 ų
• Cell temperature: 153 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.1316
• Weighted residual factors for significantly intense reflections: 0.1223
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes