Information card for entry 2203551

Structure parameters

• Chemical name: N-acetyl-L-alanine
• Formula: C5 H9 N O3
• Calculated formula: C5 H9 N O3
• SMILES: O=C(O)[C@@H](NC(=O)C)C
• Title of publication: <i>N</i>-Acetyl-<small>L</small>-alanine
• Authors of publication: Görbitz, Carl Henrik; Sagstuen, Einar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o860 - o862
• a: 10.3879 ± 0.0002 Å
• b: 11.5449 ± 0.0003 Å
• c: 5.7426 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 688.69 ± 0.03 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No