Information card for entry 2226650

Structure parameters

• Chemical name: (3,4-Dimethoxyphenyl)(4-fluorophenyl)methanone
• Formula: C15 H13 F O3
• Calculated formula: C15 H13 F O3
• SMILES: Fc1ccc(C(=O)c2cc(OC)c(OC)cc2)cc1
• Title of publication: (3,4-Dimethoxyphenyl)(4-fluorophenyl)methanone
• Authors of publication: Lv, Quanjian; Wang, Jianling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1585
• a: 10.8926 ± 0.0009 Å
• b: 11.3632 ± 0.0011 Å
• c: 10.8369 ± 0.001 Å
• α: 90°
• β: 108.285 ± 0.001°
• γ: 90°
• Cell volume: 1273.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0899
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes