Information card for entry 2233820

Structure parameters

• Chemical name: [8-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalen-1-yl](2,4,6- trimethylphenyl)methanone
• Formula: C29 H25 Cl O4
• Calculated formula: C29 H25 Cl O4
• SMILES: Clc1ccc(C(=O)c2c(OC)ccc3ccc(OC)c(c23)C(=O)c2c(cc(cc2C)C)C)cc1
• Title of publication: [8-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalen-1-yl](2,4,6-trimethylphenyl)methanone
• Authors of publication: Muto, Toyokazu; Sasagawa, Kosuke; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o906
• a: 11.6017 ± 0.0002 Å
• b: 12.3381 ± 0.0002 Å
• c: 16.2825 ± 0.0003 Å
• α: 90°
• β: 90.503 ± 0.001°
• γ: 90°
• Cell volume: 2330.64 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes