Information card for entry 2238005

Structure parameters

• Common name: 1,8-bis(4-fluorobenzoyl)-2,7-diethoxynaphthalene
• Chemical name: [2,7-Diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl](4-fluorophenyl)methanone
• Formula: C28 H22 F2 O4
• Calculated formula: C28 H22 F2 O4
• SMILES: CCOc1ccc2c(c1C(=O)c1ccc(cc1)F)c(c(cc2)OCC)C(=O)c1ccc(cc1)F
• Title of publication: [2,7-Diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl](4-fluorophenyl)methanone
• Authors of publication: Mouri, Saki; Hijikata, Daichi; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o637
• a: 7.8592 ± 0.0018 Å
• b: 21.243 ± 0.005 Å
• c: 13.941 ± 0.003 Å
• α: 90°
• β: 105.141 ± 0.003°
• γ: 90°
• Cell volume: 2246.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes