Information card for entry 4128970

Structure parameters

• Formula: C27 H40 Co F4 N P2
• Calculated formula: C27 H40 Co F4 N P2
• Title of publication: Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control of C(sp²)-H Oxidative Addition Results in <i>ortho</i>-to-Fluorine Selectivity.
• Authors of publication: Pabst, Tyler P.; Obligacion, Jennifer V.; Rochette, Étienne; Pappas, Iraklis; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 38
• Pages of publication: 15378 - 15389
• a: 8.2188 ± 0.0002 Å
• b: 11.2255 ± 0.0003 Å
• c: 16.4158 ± 0.0004 Å
• α: 84.354 ± 0.001°
• β: 76.854 ± 0.001°
• γ: 69.023 ± 0.001°
• Cell volume: 1376.85 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No