Information card for entry 2237232

Structure parameters

• Chemical name: (8-Benzoyl-2,7-diethoxynaphthalen-1-yl)(phenyl)methanone
• Formula: C28 H24 O4
• Calculated formula: C28 H24 O4
• SMILES: O(c1c(c2c(c(OCC)ccc2cc1)C(=O)c1ccccc1)C(=O)c1ccccc1)CC
• Title of publication: (8-Benzoyl-2,7-diethoxynaphthalen-1-yl)(phenyl)methanone
• Authors of publication: Isogai, Atsumi; Tsumuki, Takehiro; Murohashi, Shun; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o71
• a: 7.92185 ± 0.00014 Å
• b: 20.6794 ± 0.0004 Å
• c: 14.213 ± 0.0003 Å
• α: 90°
• β: 106.043 ± 0.001°
• γ: 90°
• Cell volume: 2237.68 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes