Information card for entry 2233305

Structure parameters

• Chemical name: [2,7-Dimethoxy-8-(2,4,6-trimethylbenzoyl)naphthalen-1-yl](2,4,6- trimethylphenyl)methanone
• Formula: C32 H32 O4
• Calculated formula: C32 H32 O4
• SMILES: O=C(c1c(OC)ccc2ccc(OC)c(c12)C(=O)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: [2,7-Dimethoxy-8-(2,4,6-trimethylbenzoyl)naphthalen-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: 1
• Pages of publication: o23
• a: 7.71685 ± 0.00014 Å
• b: 29.2344 ± 0.0005 Å
• c: 11.5567 ± 0.0002 Å
• α: 90°
• β: 102.879 ± 0.001°
• γ: 90°
• Cell volume: 2541.57 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes