Information card for entry 7160712

Structure parameters

• Formula: C27 H29 B N2 O3
• Calculated formula: C27 H29 B N2 O3
• 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: 10.3606 ± 0.0012 Å
• b: 10.7025 ± 0.001 Å
• c: 12.3148 ± 0.0014 Å
• α: 73.538 ± 0.004°
• β: 84.906 ± 0.004°
• γ: 64.683 ± 0.003°
• Cell volume: 1182.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No