Information card for entry 4129883

Structure parameters

• Formula: C27 H36 Co N2 P
• Calculated formula: C27 H36 Co N2 P
• SMILES: [Co]12([n]3c(c4[n]2cccc4)cccc3C[P]1(C(C)(C)C)C(C)(C)C)CCc1ccccc1
• 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: 16.925 ± 0.004 Å
• b: 9.297 ± 0.002 Å
• c: 16.995 ± 0.004 Å
• α: 90°
• β: 114.388 ± 0.004°
• γ: 90°
• Cell volume: 2435.6 ± 1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No