Information card for entry 4129885

Structure parameters

• Formula: C19 H27 Cl Co N2 P
• Calculated formula: C19 H27 Cl Co N2 P
• SMILES: [Co]12([n]3c(c4[n]2cccc4)cccc3C[P]1(C(C)(C)C)C(C)(C)C)Cl
• Title of publication: Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.
• Authors of publication: Zhang, Lei; Huang, Zheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 50
• Pages of publication: 15600 - 15603
• a: 11.0264 ± 0.0013 Å
• b: 12.7962 ± 0.0015 Å
• c: 13.7945 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1946.3 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No