Information card for entry 2203698

Structure parameters

• Formula: C7 H13 N O3
• Calculated formula: C7 H13 N O3
• SMILES: O=C(N[C@@H](C(C)C)C(=O)O)C
• Title of publication: <i>N</i>-Acetyl-<small>L</small>-valine
• Authors of publication: Qing-An Wu; Zhen-Yuan Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o949 - o950
• a: 6.654 ± 0.001 Å
• b: 9.444 ± 0.002 Å
• c: 13.182 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 828.4 ± 0.3 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: 0.0458
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No