Information card for entry 2232129

Structure parameters

• Chemical name: (2,7-Dimethoxynaphthalen-1-yl)(2,4,6-trimethylphenyl)methanone
• Formula: C22 H22 O3
• Calculated formula: C22 H22 O3
• SMILES: O=C(c1c(OC)ccc2ccc(OC)cc12)c1c(cc(cc1C)C)C
• Title of publication: (2,7-Dimethoxynaphthalen-1-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: 10
• Pages of publication: o2813
• a: 10.5238 ± 0.0004 Å
• b: 12.2289 ± 0.0004 Å
• c: 15.0504 ± 0.0005 Å
• α: 90°
• β: 111.34 ± 0.002°
• γ: 90°
• Cell volume: 1804.1 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes