Information card for entry 4134457

Structure parameters

• Formula: C12 H2 F8
• Calculated formula: C12 H2 F8
• SMILES: Fc1c(F)cc(F)c(F)c1c1c(F)c(F)cc(F)c1F
• Title of publication: Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.
• Authors of publication: Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 13
• Pages of publication: 6036 - 6050
• a: 10.994 ± 0.003 Å
• b: 8.897 ± 0.004 Å
• c: 20.967 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2050.9 ± 1.1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No