Information card for entry 2238064

Structure parameters

• Chemical name: (2,7-Dimethoxynaphthalen-1-yl)(naphthalen-1-yl)methanone
• Formula: C23 H18 O3
• Calculated formula: C23 H18 O3
• SMILES: COc1ccc2c(c1)c(c(cc2)OC)C(=O)c1cccc2c1cccc2
• Title of publication: (2,7-Dimethoxynaphthalen-1-yl)(naphthalen-1-yl)methanone
• Authors of publication: Tsumuki, Takehiro; Isogai, Atsumi; Kawano, Hiroyuki; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o663
• a: 16.1451 ± 0.0003 Å
• b: 7.51303 ± 0.00014 Å
• c: 29.0107 ± 0.0005 Å
• α: 90°
• β: 98.547 ± 0.001°
• γ: 90°
• Cell volume: 3479.88 ± 0.11 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: 0.0417
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes