Information card for entry 2237563

Structure parameters

• Chemical name: {2,7-Dimethoxy-8-[4-(propan-2-yloxy)benzoyl]naphthalen-1-yl}[4-(propan-2-yloxy)phenyl]methanone
• Formula: C32 H32 O6
• Calculated formula: C32 H32 O6
• SMILES: COc1ccc2c(c1C(=O)c1ccc(cc1)OC(C)C)c(c(cc2)OC)C(=O)c1ccc(cc1)OC(C)C
• Title of publication: {2,7-Dimethoxy-8-[4-(propan-2-yloxy)benzoyl]naphthalen-1-yl}[4-(propan-2-yloxy)phenyl]methanone
• Authors of publication: Sasagawa, Kosuke; Takeuchi, Ryo; Kusakabe, Taro; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o444 - o445
• a: 10.9988 ± 0.0002 Å
• b: 25.8702 ± 0.0005 Å
• c: 19.2062 ± 0.0004 Å
• α: 90°
• β: 100.338 ± 0.001°
• γ: 90°
• Cell volume: 5376.24 ± 0.18 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: 0.0476
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes