Information card for entry 7154156

Structure parameters

• Formula: C30 H36 O3 P
• Calculated formula: C30 H37 O3 P
• SMILES: [P@](=O)(O[C@H]1[C@H](C(C)C)CC[C@H](C1)C)(c1ccccc1)[C@@](O)(c1ccc(c2ccccc2)cc1)C
• Title of publication: Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.
• Authors of publication: Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 46
• Pages of publication: 9457
• a: 24.45 ± 0.004 Å
• b: 5.8577 ± 0.0007 Å
• c: 20.328 ± 0.003 Å
• α: 90°
• β: 114.063 ± 0.017°
• γ: 90°
• Cell volume: 2658.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No