Information card for entry 2235943

Structure parameters

• Common name: 1,8-Bis(4-acetoxybenzoyl)-2,7-dimethoxynaphthalene
• Chemical name: 4-{[8-(4-Acetyloxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]carbonyl}phenyl acetate
• Formula: C30 H24 O8
• Calculated formula: C30 H24 O8
• SMILES: O(c1ccc2ccc(OC)c(c2c1C(=O)c1ccc(OC(=O)C)cc1)C(=O)c1ccc(OC(=O)C)cc1)C
• Title of publication: 4-{[8-(4-Acetyloxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]carbonyl}phenyl acetate
• Authors of publication: Sasagawa, Kosuke; Hijikata, Daichi; Kusakabe, Taro; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2503
• a: 44.115 ± 0.006 Å
• b: 7.971 ± 0.0009 Å
• c: 15.035 ± 0.004 Å
• α: 90°
• β: 99.439 ± 0.016°
• γ: 90°
• Cell volume: 5215.3 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes