Information card for entry 7160711

Structure parameters

• Formula: C23 H26 B N2 O4
• Calculated formula: C23 H27 B N2 O4
• Title of publication: Diastereoconvergence in NHC/photo dual-catalysis: stereoselective boroacylation of internal electron-poor alkenes.
• Authors of publication: Zhang, Xiang; Zhang, Bin; Wang, Ya-Peng; Tang, Mei-Ling; Zhang, Qian-Xi; Liu, Hao; Hu, Jia-Tao; Qi, Ting; Li, Jun-Long
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 9624 - 9634
• a: 9.3194 ± 0.0005 Å
• b: 16.4785 ± 0.0008 Å
• c: 14.8376 ± 0.0006 Å
• α: 90°
• β: 101.632 ± 0.002°
• γ: 90°
• Cell volume: 2231.81 ± 0.19 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 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: 0.0811
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No