Information card for entry 7154152

Structure parameters

• Formula: C25 H30 N0 O4 P
• Calculated formula: C25 H30 O4 P
• SMILES: [P@](=O)(O[C@H]1[C@H](C(C)C)CC[C@H](C1)C)(c1ccccc1)[C@@](O)(c1ccc(OC)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: 12.436 ± 0.013 Å
• b: 5.7781 ± 0.0007 Å
• c: 15.9687 ± 0.0016 Å
• α: 90°
• β: 92.534 ± 0.001°
• γ: 90°
• Cell volume: 1146.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1811
• Residual factor for significantly intense reflections: 0.1367
• Weighted residual factors for significantly intense reflections: 0.3229
• Weighted residual factors for all reflections included in the refinement: 0.3557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No