Information card for entry 2230138

Structure parameters

• Chemical name: (5-Benzoyl-3,6-dimethoxynaphthalen-2-yl)(phenyl)methanone
• Formula: C26 H20 O4
• Calculated formula: C26 H20 O4
• SMILES: COc1cc2c(cc1C(=O)c1ccccc1)ccc(c2C(=O)c1ccccc1)OC
• Title of publication: (5-Benzoyl-3,6-dimethoxynaphthalen-2-yl)(phenyl)methanone
• Authors of publication: Kato, Yuichi; Nagasawa, Atsushi; Sasagawa, Kosuke; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1250
• a: 8.42828 ± 0.00015 Å
• b: 12.5953 ± 0.0002 Å
• c: 20.0578 ± 0.0004 Å
• α: 96.222 ± 0.001°
• β: 99.688 ± 0.001°
• γ: 102.727 ± 0.001°
• Cell volume: 2023.77 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes