Information card for entry 7154153

Structure parameters

• Formula: C22 H37 N0 O3 P
• Calculated formula: C22 H37 O3 P
• SMILES: [P@](=O)(O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)(c1ccccc1)[C@](CC(C)C)(O)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: 5.7766 ± 0.0004 Å
• b: 12.208 ± 0.0012 Å
• c: 16.2225 ± 0.0015 Å
• α: 83.552 ± 0.002°
• β: 82.785 ± 0.001°
• γ: 78.777 ± 0.001°
• Cell volume: 1108.71 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No