Information card for entry 2224023

Structure parameters

• Common name: 1,5-Bis(pentafluorophenyl)-3-phenylpent-2-ene-1,5-dione
• Chemical name: 1,5-Bis(pentafluorophenyl)-3-phenylpent-2-ene-1,5-dione
• Formula: C23 H8 F10 O2
• Calculated formula: C23 H8 F10 O2
• SMILES: O=C(c1c(F)c(F)c(F)c(F)c1F)/C=C(/c1ccccc1)CC(=O)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: 1,5-Bis(pentafluorophenyl)-3-phenylpent-2-ene-1,5-dione
• Authors of publication: Schwarzer, Anke; Weber, Edwin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2801
• a: 10.986 ± 0.0003 Å
• b: 15.8843 ± 0.0004 Å
• c: 11.4963 ± 0.0003 Å
• α: 90°
• β: 101.528 ± 0.001°
• γ: 90°
• Cell volume: 1965.69 ± 0.09 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes