Information card for entry 4102006

Structure parameters

• Formula: C21 H20 F N O4 S2
• Calculated formula: C21 H20 F N O4 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccccc1)[C@@H]([C@@H](F)C)c1ccccc1)c1ccccc1.S(=O)(=O)(N(S(=O)(=O)c1ccccc1)[C@H]([C@H](F)C)c1ccccc1)c1ccccc1
• Title of publication: Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes
• Authors of publication: Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 2856 - 2857
• a: 8.6167 ± 0.0014 Å
• b: 10.7071 ± 0.0017 Å
• c: 12.271 ± 0.002 Å
• α: 78.669 ± 0.003°
• β: 84.33 ± 0.003°
• γ: 66.61 ± 0.002°
• Cell volume: 1018.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No