Information card for entry 4513755

Structure parameters

• Formula: C13 H5 F7
• Calculated formula: C13 H5 F7
• SMILES: Fc1c(c(F)c(F)c(c1F)C(F)(F)F)c1ccccc1
• Title of publication: Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis
• Authors of publication: Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 369
• a: 5.92801 ± 0.00016 Å
• b: 7.5738 ± 0.0002 Å
• c: 23.6364 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1061.22 ± 0.05 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No