Information card for entry 1576323

Structure parameters

• Formula: C18 H19 F N2 O
• Calculated formula: C18 H19 F N2 O
• Title of publication: Bulky alkali metal cations enabled highly efficient iridium-catalyzed asymmetric hydrogenation for C–N axial chirality via dynamic kinetic resolution
• Authors of publication: Zhao, Xianghua; Chen, Xinyu; Fan, Linxian; Jiang, Yulong; Chen, Yirui; Song, Dingguo; Ling, Fei; Hu, Junyuan; Zhong, Weihui
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 7.8471 ± 0.0002 Å
• b: 8.9604 ± 0.0002 Å
• c: 22.4164 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1576.17 ± 0.06 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: 0.0311
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No