Information card for entry 7159962

Structure parameters

• Formula: C H N O P
• Calculated formula: C3.2 H3.2 N0.2 O0.6 P0.2
• Title of publication: Efficient synthesis of α-amino-vinylphosphine oxides from alkyl nitriles <i>via</i> manganese-catalyzed phosphinoenamination.
• Authors of publication: Sun, Runbo; Junpeng, Yang; Zhang, Zheng; Luo, Ruihang; Tang, Wentao; Liu, Xinyu; Liu, Xiaoyong; Ding, Anjun; Fu, Zhengjiang; Guo, Shengmei; Cai, Hu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 24
• Pages of publication: 4993 - 5000
• a: 22.033 ± 0.002 Å
• b: 13.718 ± 0.002 Å
• c: 10.1323 ± 0.0012 Å
• α: 90°
• β: 97.804 ± 0.003°
• γ: 90°
• Cell volume: 3034.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.1135
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No