Information card for entry 2227875

Structure parameters

• Common name: 1,8-Bis(4-methylbenzoyl)-2,7-dimethoxynaphthalene
• Chemical name: [2,7-Dimethoxy-8-(4-methylbenzoyl)-1-naphthyl](4-methylphenyl)methanone
• Formula: C28 H24 O4
• Calculated formula: C28 H24 O4
• SMILES: O=C(c1c(OC)ccc2ccc(OC)c(c12)C(=O)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: [2,7-Dimethoxy-8-(4-methylbenzoyl)-1-naphthyl](4-methylphenyl)methanone
• Authors of publication: Muto, Toyokazu; Kato, Yuichi; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2752
• a: 20.0334 ± 0.0003 Å
• b: 13.4311 ± 0.0002 Å
• c: 7.94771 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2138.5 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes