Information card for entry 2201105

Structure parameters

• Chemical name: 4-Acetyl-N,N-dibenzoylphenylamine
• Formula: C22 H17 N O3
• Calculated formula: C22 H17 N O3
• SMILES: O=C(N(c1ccc(cc1)C(=O)C)C(=O)c1ccccc1)c1ccccc1
• Title of publication: 4-Acetyl-<i>N,N</i>-dibenzoylphenylamine
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Jing-Zhi Tian; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o377 - o379
• a: 10.519 ± 0.0001 Å
• b: 9.1443 ± 0.0002 Å
• c: 18.1947 ± 0.0003 Å
• α: 90°
• β: 94.148 ± 0.001°
• γ: 90°
• Cell volume: 1745.54 ± 0.05 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0697
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes