Information card for entry 2237372

Structure parameters

• Common name: 2,7-Diisopropoxy-1,8-bis(4-phenoxybenzoyl)naphthalene
• Chemical name: [8-(4-Phenoxybenzoyl)-2,7-bis(propan-2-yloxy)naphthalen-1-yl](4- phenoxyphenyl)methanone
• Formula: C42 H36 O6
• Calculated formula: C42 H36 O6
• SMILES: CC(Oc1ccc2c(c1C(=O)c1ccc(cc1)Oc1ccccc1)c(c(cc2)OC(C)C)C(=O)c1ccc(cc1)Oc1ccccc1)C
• Title of publication: [8-(4-Phenoxybenzoyl)-2,7-bis(propan-2-yloxy)naphthalen-1-yl](4-phenoxyphenyl)methanone
• Authors of publication: Yoshiwaka, Sayaka; Hijikata, Daichi; Sasagawa, Kosuke; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o242
• a: 22.7084 ± 0.0004 Å
• b: 10.3582 ± 0.0002 Å
• c: 14.7152 ± 0.0003 Å
• α: 90°
• β: 100.106 ± 0.001°
• γ: 90°
• Cell volume: 3407.58 ± 0.11 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: 0.0393
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes