Information card for entry 2231282

Structure parameters

• Chemical name: [2-(4-Methylbenzoyl)phenyl](4-methylphenyl)methanone
• Formula: C22 H18 O2
• Calculated formula: C22 H18 O2
• SMILES: O=C(c1ccccc1C(=O)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: [2-(4-Methylbenzoyl)phenyl](4-methylphenyl)methanone
• Authors of publication: Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2120
• a: 20.7432 ± 0.0013 Å
• b: 7.7564 ± 0.0004 Å
• c: 11.3946 ± 0.0006 Å
• α: 90°
• β: 114.314 ± 0.005°
• γ: 90°
• Cell volume: 1670.7 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes