Information card for entry 4102005

Structure parameters

• Formula: C20 H17 F2 N O4 S2
• Calculated formula: C20 H17 F2 N O4 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccccc1)C(C(F)F)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: 14.7686 ± 0.0012 Å
• b: 7.8219 ± 0.0006 Å
• c: 17.1905 ± 0.0014 Å
• α: 90°
• β: 100.447 ± 0.002°
• γ: 90°
• Cell volume: 1952.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No