Information card for entry 4036415

Structure parameters

• Formula: C29 H26 N O2 P
• Calculated formula: C29 H26 N O2 P
• SMILES: P(=O)([C@@H]1C(=O)N(C)c2ccccc2[C@H]1c1cc(ccc1)C)(c1ccccc1)c1ccccc1.P(=O)([C@H]1C(=O)N(C)c2ccccc2[C@@H]1c1cc(ccc1)C)(c1ccccc1)c1ccccc1
• Title of publication: Silver-Catalyzed Cascade Radical Cyclization: A Direct Approach to 3,4-Disubstituted Dihydroquinolin-2(1H)-ones through Activation of the P-H Bond and Functionalization of the C(sp(2))-H Bond.
• Authors of publication: Zhang, Honglin; Gu, Zhangxi; Li, Zhenyi; Pan, Changduo; Li, Weipeng; Hu, Hongwen; Zhu, Chengjian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 5
• Pages of publication: 2122 - 2127
• a: 16.157 ± 0.003 Å
• b: 9.129 ± 0.0018 Å
• c: 16.109 ± 0.003 Å
• α: 90°
• β: 90.44 ± 0.03°
• γ: 90°
• Cell volume: 2376 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1739
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No