Information card for entry 2229379

Structure parameters

• Chemical name: (3,6-Dimethoxynaphthalen-2-yl)(phenyl)methanone
• Formula: C19 H16 O3
• Calculated formula: C19 H16 O3
• SMILES: O=C(c1c(OC)cc2c(c1)ccc(OC)c2)c1ccccc1
• Title of publication: (3,6-Dimethoxynaphthalen-2-yl)(phenyl)methanone
• Authors of publication: Kato, Yuichi; Takeuchi, Ryo; Muto, Toyokazu; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o668
• a: 8.7186 ± 0.0002 Å
• b: 20.465 ± 0.0004 Å
• c: 8.5675 ± 0.0002 Å
• α: 90°
• β: 102.475 ± 0.001°
• γ: 90°
• Cell volume: 1492.57 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes