Information card for entry 2236614

Structure parameters

• Chemical name: (4-Fluorophenyl)[8-(4-fluorobenzoyl)-2,7-diphenoxynaphthalen-1-yl]methanone
• Formula: C36 H22 F2 O4
• Calculated formula: C36 H22 F2 O4
• SMILES: Fc1ccc(C(=O)c2c(Oc3ccccc3)ccc3ccc(Oc4ccccc4)c(c23)C(=O)c2ccc(F)cc2)cc1
• Title of publication: (4-Fluorophenyl)[8-(4-fluorobenzoyl)-2,7-diphenoxynaphthalen-1-yl]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: 11
• Pages of publication: o3246
• a: 22.3058 ± 0.0004 Å
• b: 14.6047 ± 0.0003 Å
• c: 16.8302 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5482.77 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes