Information card for entry 4126127

Structure parameters

• Formula: C21 H20 F N O2 S
• Calculated formula: C21 H20 F N O2 S
• SMILES: S(=O)(=O)(N(C[C@H](c1ccccc1F)c1ccccc1)C)c1ccccc1
• Title of publication: Asymmetric Copper-Catalyzed Intermolecular Aminoarylation of Styrenes: Efficient Access to Optical 2,2-Diarylethylamines.
• Authors of publication: Wang, Dinghai; Wu, Lianqian; Wang, Fei; Wan, Xiaolong; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 20
• Pages of publication: 6811 - 6814
• a: 8.9044 ± 0.0015 Å
• b: 10.1505 ± 0.0017 Å
• c: 11.649 ± 0.002 Å
• α: 84.652 ± 0.004°
• β: 70.657 ± 0.003°
• γ: 67.909 ± 0.003°
• Cell volume: 919.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No