Information card for entry 1576226

Structure parameters

• Formula: C16 H14 F4 N O2 P
• Calculated formula: C16 H14 F4 N O2 P
• Title of publication: 1,2-Hydrogen Atom Transfer of Aminyl Radicals under Photoredox Catalysis for the Synthesis of α-Amino Phosphine Oxides
• Authors of publication: Pan, Ailin; Rotella, Madeline E.; Meng, Yamiao; Xun, Tian; Duan, Shengzu; Jiang, Yonggang; Deng, Guogang; Limburg, Bart; Zhang, Hongbin; Kozlowski, Marisa C.; Walsh, Patrick J.; Yang, Xiaodong
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 17.9924 ± 0.0006 Å
• b: 11.0902 ± 0.0004 Å
• c: 15.8252 ± 0.0006 Å
• α: 90°
• β: 100.242 ± 0.001°
• γ: 90°
• Cell volume: 3107.43 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No