Information card for entry 2212546

Structure parameters

• Chemical name: N-acetyl-D,L-phenylglycine
• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O3
• SMILES: OC(=O)C(c1ccccc1)NC(=O)C
• Title of publication: <i>N</i>-Acetyl-<small>DL</small>-phenylglycine
• Authors of publication: Rui-Dong Yang; Lin Zhao; Yang Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1117 - o1118
• a: 13.323 ± 0.002 Å
• b: 11.7226 ± 0.0014 Å
• c: 13.438 ± 0.002 Å
• α: 90°
• β: 113.068 ± 0.006°
• γ: 90°
• Cell volume: 1930.9 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes