Information card for entry 2237386

Structure parameters

• Common name: 1,8-Bis(4-phenoxybenzoyl)-2,7-dihydroxynaphthalene
• Chemical name: [2,7-Dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl](4-phenoxyphenyl)methanone
• Formula: C36 H24 O6
• Calculated formula: C36 H24 O6
• SMILES: O=C(c1c(O)ccc2ccc(O)c(c12)C(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
• Title of publication: [2,7-Dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl](4-phenoxyphenyl)methanone
• Authors of publication: Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o208 - o209
• a: 16.0313 ± 0.0003 Å
• b: 18.4956 ± 0.0003 Å
• c: 12.1238 ± 0.0002 Å
• α: 90°
• β: 131.389 ± 0.001°
• γ: 90°
• Cell volume: 2696.96 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes