Information card for entry 2237541

Structure parameters

• Chemical name: (2,7-Dimethoxynaphthalen-1-yl)(4-methoxyphenyl)methanone
• Formula: C20 H18 O4
• Calculated formula: C20 H18 O4
• SMILES: O=C(c1c(OC)ccc2ccc(OC)cc12)c1ccc(OC)cc1
• Title of publication: (2,7-Dimethoxynaphthalen-1-yl)(4-methoxyphenyl)methanone
• Authors of publication: Sasagawa, Kosuke; Sakamoto, Rei; Hijikata, Daichi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o363
• a: 14.9638 ± 0.0002 Å
• b: 7.9191 ± 0.0001 Å
• c: 13.6394 ± 0.0002 Å
• α: 90°
• β: 92.56°
• γ: 90°
• Cell volume: 1614.65 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes