Information card for entry 4514764

Structure parameters

• Formula: C27 H26 F2 N O2 P
• Calculated formula: C27 H26 F2 N O2 P
• SMILES: P(c1ccc(F)cc1)(c1ccc(F)cc1)[C@H]1C[C@H]2N([C@@H]1c1c2cccc1)C(=O)OC(C)(C)C
• Title of publication: Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis
• Authors of publication: Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 1457
• a: 10.6041 ± 0.0014 Å
• b: 11.5598 ± 0.0016 Å
• c: 19.577 ± 0.003 Å
• α: 90°
• β: 94.744 ± 0.004°
• γ: 90°
• Cell volume: 2391.6 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No