Information card for entry 2219208

Structure parameters

• Chemical name: (<i>E</i>)-1,2-Bis(4-fluorophenyl)ethane-1,2-dione
• Formula: C14 H8 F2 O2
• Calculated formula: C14 H8 F2 O2
• SMILES: Fc1ccc(cc1)C(=O)C(=O)c1ccc(F)cc1
• Title of publication: (<i>E</i>)-1,2-Bis(4-fluorophenyl)ethane-1,2-dione
• Authors of publication: Fun, Hoong-Kun; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1617 - o1618
• a: 12.1351 ± 0.0002 Å
• b: 7.35 ± 0.0001 Å
• c: 13.1572 ± 0.0002 Å
• α: 90°
• β: 110.507 ± 0.001°
• γ: 90°
• Cell volume: 1099.16 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.053
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes