Information card for entry 2227874

Structure parameters

• Chemical name: (2,7-Dimethoxynaphthalen-1-yl)(phenyl)methanone
• Formula: C19 H16 O3
• Calculated formula: C19 H16 O3
• SMILES: COc1ccc2c(c1C(=O)c1ccccc1)cc(cc2)OC
• Title of publication: (2,7-Dimethoxynaphthalen-1-yl)(phenyl)methanone
• Authors of publication: Kato, Yuichi; Nagasawa, Atsushi; Hijikata, Daichi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2659
• a: 23.4356 ± 0.0004 Å
• b: 7.84115 ± 0.00014 Å
• c: 26.7438 ± 0.0005 Å
• α: 90°
• β: 111.786 ± 0.001°
• γ: 90°
• Cell volume: 4563.49 ± 0.14 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: 0.0478
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes