Information card for entry 2219663

Structure parameters

• Chemical name: 1-(2',4'-Difluorobiphenyl-4-yl)ethanone
• Formula: C14 H10 F2 O
• Calculated formula: C14 H10 F2 O
• SMILES: Fc1cc(F)c(cc1)c1ccc(cc1)C(=O)C
• Title of publication: 1-(2',4'-Difluorobiphenyl-4-yl)ethanone
• Authors of publication: Guo, Meng-Ping; Deng, Ji-Hua; Zhang, Qiao-Chu; Guo, Hui-Rui; Yuan, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1923
• a: 13.092 ± 0.007 Å
• b: 6.102 ± 0.003 Å
• c: 27.719 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2214 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes