Information card for entry 2218170

Structure parameters

• Chemical name: 1,8-Dibenzoyl-2,7-dimethoxynaphthalene
• Formula: C26 H20 O4
• Calculated formula: C26 H20 O4
• SMILES: c1(c(ccc2c1c(c(cc2)OC)C(=O)c1ccccc1)OC)C(=O)c1ccccc1
• Title of publication: 1,8-Dibenzoyl-2,7-dimethoxynaphthalene
• Authors of publication: Nakaema, Kosuke; Watanabe, Shoji; Okamoto, Akiko; Noguchi, Keiichi; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o807
• a: 13.9677 ± 0.0004 Å
• b: 10.2145 ± 0.0003 Å
• c: 14.6966 ± 0.0004 Å
• α: 90°
• β: 109.711 ± 0.002°
• γ: 90°
• Cell volume: 1973.95 ± 0.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes