Information card for entry 1574871

Structure parameters

• Formula: C46 H43.75 B F6 N2 Ni P2
• Calculated formula: C46 H43.75 B F6 N2 Ni P2
• Title of publication: Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent.
• Authors of publication: Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 13449 - 13458
• a: 12.01864 ± 0.00011 Å
• b: 11.91416 ± 0.00009 Å
• c: 28.869 ± 0.0002 Å
• α: 90°
• β: 92.2828 ± 0.0008°
• γ: 90°
• Cell volume: 4130.53 ± 0.06 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No