Information card for entry 2237208

Structure parameters

• Chemical name: [2-(3,4-Dimethylbenzoyl)phenyl](4-methoxyphenyl)methanone
• Formula: C23 H20 O3
• Calculated formula: C23 H20 O3
• SMILES: COc1ccc(cc1)C(=O)c1ccccc1C(=O)c1ccc(c(c1)C)C
• Title of publication: [2-(3,4-Dimethylbenzoyl)phenyl](4-methoxyphenyl)methanone
• Authors of publication: Jagadeesan, G.; Sethusankar, K.; Sivasakthikumaran, R.; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o26
• a: 21.983 ± 0.002 Å
• b: 7.8173 ± 0.0006 Å
• c: 11.7489 ± 0.001 Å
• α: 90°
• β: 116.158 ± 0.002°
• γ: 90°
• Cell volume: 1812.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes