Information card for entry 2237572

Structure parameters

• Chemical name: (8-Benzoyl-2,7-dimethoxynaphthalen-1-yl)(4-phenoxyphenyl)methanone
• Formula: C32 H24 O5
• Calculated formula: C32 H24 O5
• SMILES: O=C(c1c(OC)ccc2ccc(OC)c(c12)C(=O)c1ccccc1)c1ccc(Oc2ccccc2)cc1
• Title of publication: (8-Benzoyl-2,7-dimethoxynaphthalen-1-yl)(4-phenoxyphenyl)methanone
• Authors of publication: Sasagawa, Kosuke; Sakamoto, Rei; Takeuchi, Ryo; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o395 - o396
• a: 8.19645 ± 0.0001 Å
• b: 11.5051 ± 0.0002 Å
• c: 26.4916 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.18 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes