Information card for entry 7228249

Structure parameters

• Formula: C21 H27 N O3 P
• Calculated formula: C21 H27 N O3 P
• SMILES: P(=O)([C@H]1CN(CC1)C(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Stereocontrolled C(sp3)‒P bond formation with non-activated alkyl halides and tosylates
• Authors of publication: Yang, Chu-Ting; Han, Jun; Liu, Jun; Li, Yi; Zhang, Fan; Gu, Mei; Hu, Sheng; Wang, Xiaolin
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 40
• Pages of publication: 24652
• a: 8.7343 ± 0.0012 Å
• b: 8.4099 ± 0.0012 Å
• c: 14.2737 ± 0.0019 Å
• α: 90°
• β: 106.437 ± 0.004°
• γ: 90°
• Cell volume: 1005.6 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No