Information card for entry 2206368

Structure parameters

• Chemical name: N-benzoyl alanine
• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O3
• SMILES: N(C(C(=O)O)C)C(=O)c1ccccc1
• Title of publication: <i>N</i>-Benzoylalanine
• Authors of publication: Ai-Yun Fu; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2336 - o2337
• a: 9.263 ± 0.002 Å
• b: 10.308 ± 0.003 Å
• c: 10.974 ± 0.003 Å
• α: 90°
• β: 112.872 ± 0.003°
• γ: 90°
• Cell volume: 965.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes