Information card for entry 2231283

Structure parameters

• Chemical name: (2-Benzoylphenyl)(3,4-dimethylphenyl)methanone
• Formula: C22 H18 O2
• Calculated formula: C22 H18 O2
• SMILES: c1ccccc1C(=O)c1ccccc1C(=O)c1cc(c(cc1)C)C
• Title of publication: (2-Benzoylphenyl)(3,4-dimethylphenyl)methanone
• Authors of publication: Jagadeesan, G.; Sethusankar, K.; Sivasakthikumaran, R.; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2177
• a: 17.8606 ± 0.0014 Å
• b: 7.759 ± 0.0006 Å
• c: 11.9722 ± 0.0011 Å
• α: 90°
• β: 93.942 ± 0.003°
• γ: 90°
• Cell volume: 1655.2 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes