Information card for entry 2231297

Structure parameters

• Common name: 1,8-Bis(4-bromomethylbenzoyl)-2,7-dimethoxynaphthalene
• Chemical name: {8-[4-(Bromomethyl)benzoyl]-2,7-dimethoxynaphthalen-1-yl}[4- (bromomethyl)phenyl]methanone
• Formula: C28 H22 Br2 O4
• Calculated formula: C28 H22 Br2 O4
• SMILES: BrCc1ccc(C(=O)c2c(OC)ccc3ccc(OC)c(c23)C(=O)c2ccc(cc2)CBr)cc1
• Title of publication: {8-[4-(Bromomethyl)benzoyl]-2,7-dimethoxynaphthalen-1-yl}[4-(bromomethyl)phenyl]methanone
• Authors of publication: Sasagawa, Kosuke; Hijikata, Daichi; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2119
• a: 11.5948 ± 0.0002 Å
• b: 8.37239 ± 0.00015 Å
• c: 24.5352 ± 0.0005 Å
• α: 90°
• β: 92.617 ± 0.001°
• γ: 90°
• Cell volume: 2379.3 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes