Information card for entry 1574872

Structure parameters

• Formula: C20 H29 B N2 O3
• Calculated formula: C14.03 H21.239 B N2 O2.403
• 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: 10.3051 ± 0.0003 Å
• b: 13.6933 ± 0.0005 Å
• c: 13.8874 ± 0.0003 Å
• α: 90°
• β: 103.092 ± 0.003°
• γ: 90°
• Cell volume: 1908.73 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0739
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No