Information card for entry 1553232

Structure parameters

• Formula: C38 H34 N O4 P S
• Calculated formula: C38 H34 N O4 P S
• SMILES: N1(S(=O)(=O)c2ccccc2)C(=O)C(/C(c2c1ccc(c2)C)=C\c1ccc(cc1)C)(CP(=O)(c1ccccc1)c1ccccc1)C
• Title of publication: Metal-free oxidative hydrophosphinylation of 1,7-enynes
• Authors of publication: Zhu, Yi-Long; Wang, De-Cai; Jiang, Bo; Hao, Wen-Juan; Wei, Ping; Wang, Ai-Fang; Qiu, Jiang-Kai; Tu, Shu-Jiang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 385
• a: 13.83 ± 0.0011 Å
• b: 21.2702 ± 0.0018 Å
• c: 14.1309 ± 0.0013 Å
• α: 90°
• β: 119.452 ± 0.003°
• γ: 90°
• Cell volume: 3619.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.2249
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2293
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No