Information card for entry 2237835

Structure parameters

• Chemical name: (4-Ethoxybenzoyl)[8-(4-ethoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]methanone
• Formula: C30 H28 O6
• Calculated formula: C30 H28 O6
• SMILES: CCOc1ccc(cc1)C(=O)c1c(OC)ccc2c1c(c(OC)cc2)C(=O)c1ccc(cc1)COCC
• Title of publication: (4-Ethoxybenzoyl)[8-(4-ethoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]methanone
• Authors of publication: Sasagawa, Kosuke; Sakamoto, Rei; Hijikata, Daichi; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o651
• a: 19.6446 ± 0.0004 Å
• b: 21.5251 ± 0.0004 Å
• c: 22.9585 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9708 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes