Information card for entry 4121478

Structure parameters

• Formula: C25 H49 B Co N O2 P2
• Calculated formula: C25 H49 B Co N O2 P2
• SMILES: B1(OC(C)(C)C(O1)(C)C)[CoH2]12[n]3c(C[P]1(C(C)C)C(C)C)cccc3C[P]2(C(C)C)C(C)C
• Title of publication: Cobalt-catalyzed C-h borylation.
• Authors of publication: Obligacion, Jennifer V.; Semproni, Scott P.; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 11
• Pages of publication: 4133 - 4136
• a: 11.0403 ± 0.0004 Å
• b: 33.7265 ± 0.0008 Å
• c: 8.0786 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3008.07 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No