Information card for entry 4132911

Structure parameters

• Formula: C22 H19 Br F3 N2 Ni
• Calculated formula: C22 H19 Br F3 N2 Ni
• Title of publication: sp³ C-H Arylation and Alkylation Enabled by the Synergy of Triplet Excited Ketones and Nickel Catalysts.
• Authors of publication: Shen, Yangyang; Gu, Yiting; Martin, Ruben
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 38
• Pages of publication: 12200 - 12209
• a: 9.3825 ± 0.0006 Å
• b: 10.3799 ± 0.0006 Å
• c: 11.1183 ± 0.0003 Å
• α: 76.894 ± 0.004°
• β: 89.918 ± 0.004°
• γ: 73.255 ± 0.005°
• Cell volume: 1007.51 ± 0.1 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: 0.0777
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No