Information card for entry 2234162

Structure parameters

• Common name: 1,8-Bis(3,5-dimethylbenzoyl)-2,7-dimethoxynaphthalene
• Chemical name: (3,5-Dimethylphenyl)[8-(3,5-dimethylbenzoyl)- 2,7-dimethoxynaphthalen-1-yl]methanone
• Formula: C30 H28 O4
• Calculated formula: C30 H28 O4
• SMILES: O=C(c1c(OC)ccc2ccc(OC)c(c12)C(=O)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
• Title of publication: (3,5-Dimethylphenyl)[8-(3,5-dimethylbenzoyl)-2,7-dimethoxynaphthalen-1-yl]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: 4
• Pages of publication: o1200
• a: 19.4659 ± 0.0003 Å
• b: 8.27808 ± 0.0001 Å
• c: 15.8244 ± 0.0002 Å
• α: 90°
• β: 110.69°
• γ: 90°
• Cell volume: 2385.49 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes