Information card for entry 7249740

Structure parameters

• Formula: C15 H14 F3 N O2
• Calculated formula: C15 H14 F3 N O2
• 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: 6.8059 ± 0.0003 Å
• b: 9.5499 ± 0.0004 Å
• c: 22.0878 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1435.61 ± 0.11 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No