Information card for entry 2228021

Structure parameters

• Common name: 2,7-Dimethoxy-1,8-bis(4-phenoxybenzoyl)naphthalene
• Chemical name: [2,7-dimethoxy-8-(4-phenoxybenzoyl)naphthalen-1-yl](4-phenoxyphenyl)methanone
• Formula: C38 H28 O6
• Calculated formula: C38 H28 O6
• SMILES: O=C(c1c(OC)ccc2ccc(OC)c(c12)C(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
• Title of publication: 2,7-Dimethoxy-1,8-bis(4-phenoxybenzoyl)naphthalene
• Authors of publication: Hijikata, Daichi; Takada, Teruhisa; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2902 - o2903
• a: 12.0733 ± 0.0004 Å
• b: 12.4806 ± 0.0004 Å
• c: 19.8094 ± 0.0006 Å
• α: 90°
• β: 91.115 ± 0.002°
• γ: 90°
• Cell volume: 2984.36 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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: 0.0392
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes