Information card for entry 2213534

Structure parameters

• Chemical name: (4-Acetylphenyl)diphenylamine
• Formula: C20 H17 N O
• Calculated formula: C20 H17 N O
• SMILES: c1ccccc1N(c1ccccc1)c1ccc(cc1)C(=O)C
• Title of publication: (4-Acetylphenyl)diphenylamine
• Authors of publication: Hong-Li Wang; Bin Zhang; Wen-Yuan Xu; Yi-Qiong Bai; Hong Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2648 - o2649
• a: 12.4246 ± 0.0015 Å
• b: 11.6657 ± 0.0014 Å
• c: 10.7149 ± 0.0013 Å
• α: 90°
• β: 95.692 ± 0.002°
• γ: 90°
• Cell volume: 1545.4 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0828
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes