Information card for entry 2215107

Structure parameters

• Chemical name: (S)-(+)-2-Formylamino-3-methylbutanoic acid
• Formula: C6 H11 N O3
• Calculated formula: C6 H11 N O3
• Title of publication: (<i>S</i>)-(+)-2-Formylamino-3-methylbutanoic acid
• Authors of publication: Boyle, Grant A.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.; Negus, Tyrone K.; Rademeyer, Melanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3912 - o3912
• a: 7.076 ± 0.0006 Å
• b: 9.5221 ± 0.0008 Å
• c: 12.1934 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 821.57 ± 0.13 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes