Information card for entry 2237034

Structure parameters

• Common name: 2,7-Dibutoxy-1,8-bis(4-fluorobenzoyl)naphthalene
• Chemical name: [2,7-Dibutoxy-8-(4-fluorobenzoyl)naphthalen-1-yl](4-fluorophenyl)methanone
• Formula: C32 H30 F2 O4
• Calculated formula: C32 H30 F2 O4
• SMILES: Fc1ccc(C(=O)c2c(OCCCC)ccc3ccc(OCCCC)c(c23)C(=O)c2ccc(F)cc2)cc1
• Title of publication: [2,7-Dibutoxy-8-(4-fluorobenzoyl)naphthalen-1-yl](4-fluorophenyl)methanone
• Authors of publication: Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3287
• a: 8.26012 ± 0.00015 Å
• b: 20.2309 ± 0.0004 Å
• c: 16.5268 ± 0.0003 Å
• α: 90°
• β: 99.918 ± 0.001°
• γ: 90°
• Cell volume: 2720.51 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes