Information card for entry 4131739

Structure parameters

• Formula: C27 H30 Br2 Co N4
• Calculated formula: C27 H30 Br2 Co N4
• SMILES: Br[Co]12(Br)[N](=C(c3[n]1c(ccc3)C1=[N]2[C@H](CN1c1ccccc1)C(C)C)C)c1c(cccc1C)C
• Title of publication: Cobalt-Catalyzed Asymmetric Sequential Hydroboration/Hydrogenation of Internal Alkynes.
• Authors of publication: Guo, Jun; Cheng, Biao; Shen, Xuzhong; Lu, Zhan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 43
• Pages of publication: 15316 - 15319
• a: 11.9911 ± 0.0009 Å
• b: 8.7896 ± 0.0006 Å
• c: 12.6256 ± 0.0012 Å
• α: 90°
• β: 100.063 ± 0.008°
• γ: 90°
• Cell volume: 1310.23 ± 0.19 ų
• Cell temperature: 169.9 K
• Ambient diffraction temperature: 169.9 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No