Information card for entry 7249741

Structure parameters

• Formula: C28 H27 Br F3 N O3
• Calculated formula: C28 H27 Br F3 N O3
• Title of publication: Direct asymmetric α-C–H functionalization of N-unprotected allylamine catalyzed by chiral pyridoxal
• Authors of publication: Liang, Hanyu; Cao, Jiaxuan; Zhang, Hailong; Huang, Longjie; Liu, Siqi; Wu, Tianhao; Xiao, Xiao; Zhao, Baoguo
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 1374 - 1380
• a: 5.8722 ± 0.0004 Å
• b: 15.561 ± 0.001 Å
• c: 28.0723 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2565.2 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No