Information card for entry 2232451

Structure parameters

• Chemical name: (3,6-Dimethoxynaphthalen-2-yl)(2,4,6-trimethylphenyl)methanone
• Formula: C22 H22 O3
• Calculated formula: C22 H22 O3
• SMILES: O=C(c1c(OC)cc2c(c1)ccc(OC)c2)c1c(cc(cc1C)C)C
• Title of publication: (3,6-Dimethoxynaphthalen-2-yl)(2,4,6-trimethylphenyl)methanone
• Authors of publication: Muto, Toyokazu; Sasagawa, Kosuke; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3062
• a: 15.4205 ± 0.0002 Å
• b: 8.23702 ± 0.0001 Å
• c: 15.3832 ± 0.0002 Å
• α: 90°
• β: 111.3 ± 0.01°
• γ: 90°
• Cell volume: 1820.49 ± 0.13 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: 0.0454
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes