Information card for entry 1502982

Structure parameters

• Formula: C24 H9 F17
• Calculated formula: C24 H9 F17
• SMILES: FC(F)(c1c2ccc3cccc4ccc(cc1)c2c34)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: Direct functionalization of polycyclic aromatics via radical perfluoroalkylation.
• Authors of publication: Li, Yan; Li, Cheng; Yue, Wan; Jiang, Wei; Kopecek, Ralf; Qu, Jianqiang; Wang, Zhaohui
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2374 - 2377
• a: 19.0062 ± 0.0012 Å
• b: 11.4277 ± 0.0013 Å
• c: 10.594 ± 0.002 Å
• α: 90°
• β: 105.056 ± 0.008°
• γ: 90°
• Cell volume: 2222 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.1164
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No