Information card for entry 2235854

Structure parameters

• Chemical name: [2,7-Dimethoxy-8-(4-propylbenzoyl)naphthalen-1-yl](4-propylphenyl)methanone
• Formula: C32 H32 O4
• Calculated formula: C32 H32 O4
• SMILES: O(c1ccc2ccc(OC)c(c2c1C(=O)c1ccc(cc1)CCC)C(=O)c1ccc(cc1)CCC)C
• Title of publication: [2,7-Dimethoxy-8-(4-propylbenzoyl)naphthalen-1-yl](4-propylphenyl)methanone
• Authors of publication: Sasagawa, Kosuke; Hijikata, Daichi; Sakamoto, Rei; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2596
• a: 18.1224 ± 0.0003 Å
• b: 7.91914 ± 0.00014 Å
• c: 19.7355 ± 0.0004 Å
• α: 90°
• β: 113.502 ± 0.001°
• γ: 90°
• Cell volume: 2597.37 ± 0.08 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: 0.071
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes