Information card for entry 2008709

Structure parameters

• Common name: 1,1-di(4-methoxy phenyl)-3,3-dimethyl-2-butanone
• Formula: C20 H24 O3
• Calculated formula: C20 H24 O3
• Title of publication: 1,1-Bis(4-methoxyphenyl)-3,3-dimethylbutan-2-one
• Authors of publication: Srinivasan S. Kuduva; Amy K. Katz; H. L. Carrell; Gautam R. Desiraju
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: IUC9900073
• a: 15.423 ± 0.002 Å
• b: 18.571 ± 0.004 Å
• c: 5.8691 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1681 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No