Information card for entry 4123600

Structure parameters

• Formula: C35 H49 B Co N3 O2
• Calculated formula: C35 H49 B Co N3 O2
• SMILES: CC1c2cccc3C(C)=[N](C4CCCCC4)[Co](/C(=C\B4OC(C(C)(C)O4)(C)C)c4ccccc4)([N]=1C1CCCCC1)[n]23
• Title of publication: Cobalt catalyzed z-selective hydroboration of terminal alkynes and elucidation of the origin of selectivity.
• Authors of publication: Obligacion, Jennifer V.; Neely, Jamie M.; Yazdani, Aliza N.; Pappas, Iraklis; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 18
• Pages of publication: 5855 - 5858
• a: 11.1208 ± 0.0011 Å
• b: 16.8515 ± 0.0016 Å
• c: 28.026 ± 0.003 Å
• α: 103.608 ± 0.005°
• β: 95.405 ± 0.005°
• γ: 99.141 ± 0.006°
• Cell volume: 4992.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2068
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.2549
• Weighted residual factors for all reflections included in the refinement: 0.3015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No