Information card for entry 4125824

Structure parameters

• Formula: C30 H55 Co N O4 P2
• Calculated formula: C30 H55 Co N O4 P2
• SMILES: C1c2cc(cc3C[P](C(C)C)(C(C)C)[Co]4([n]23)([O]=C(C(C)(C)C)O4)(OC(=O)C(C)(C)C)[P]1(C(C)C)C(C)C)C
• Title of publication: C(sp(2))-H Borylation of Fluorinated Arenes Using an Air-Stable Cobalt Precatalyst: Electronically Enhanced Site Selectivity Enables Synthetic Opportunities.
• Authors of publication: Obligacion, Jennifer V.; Bezdek, Máté J; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 7
• Pages of publication: 2825 - 2832
• a: 16.2149 ± 0.0005 Å
• b: 19.0932 ± 0.0006 Å
• c: 11.5026 ± 0.0003 Å
• α: 90°
• β: 106.996 ± 0.001°
• γ: 90°
• Cell volume: 3405.61 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No