Information card for entry 2237475

Structure parameters

• Chemical name: (2,7-Dimethoxynaphthalen-1-yl)(4-phenoxyphenyl)methanone
• Formula: C25 H20 O4
• Calculated formula: C25 H20 O4
• SMILES: O(c1c(c2cc(OC)ccc2cc1)C(=O)c1ccc(Oc2ccccc2)cc1)C
• Title of publication: (2,7-Dimethoxynaphthalen-1-yl)(4-phenoxyphenyl)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: 3
• Pages of publication: o440
• a: 10.9512 ± 0.0002 Å
• b: 15.883 ± 0.0003 Å
• c: 11.2184 ± 0.0002 Å
• α: 90°
• β: 92.46 ± 0.001°
• γ: 90°
• Cell volume: 1949.51 ± 0.06 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: 0.0406
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes