Information card for entry 2214633

Structure parameters

• Chemical name: (<i>S</i>)-(+)-2-Formamido-4-methylpentanoic acid
• Formula: C7 H13 N O3
• Calculated formula: C7 H13 N O3
• SMILES: C(=O)([C@H](CC(C)C)NC=O)O
• Title of publication: (<i>S</i>)-(+)-2-Formamido-4-methylpentanoic acid
• Authors of publication: Boyle, Grant A.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.; Naicker, Tricia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3445 - o3445
• a: 9.6041 ± 0.0007 Å
• b: 10.0758 ± 0.0007 Å
• c: 9.2936 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 899.33 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes