Information card for entry 1566851

Structure parameters

• Formula: C14 H17 N2 O P
• Calculated formula: C14 H17 N2 O P
• SMILES: [P@](=O)(c1ccccc1)(c1nccnc1)C(C)(C)C
• Title of publication: Direct visible-light-induced synthesis of P-stereogenic phosphine oxides under air conditions.
• Authors of publication: Zhang, Ying; Yuan, Jia; Huang, Guanglong; Yu, Hong; Liu, Jinpeng; Chen, Jian; Meng, Sixuan; Zhong, Jian-Ji; Dang, Li; Yu, Guang-Ao; Che, Chi-Ming
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6519 - 6524
• a: 7.2488 ± 0.0009 Å
• b: 10.7508 ± 0.0014 Å
• c: 17.638 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1374.5 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0366
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No