Information card for entry 4102003

Structure parameters

• Formula: C22 H20 F N O4 S2
• Calculated formula: C22 H20 F N O4 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccccc1)[C@H]1[C@H](F)CCc2c1cccc2)c1ccccc1.S(=O)(=O)(N(S(=O)(=O)c1ccccc1)[C@@H]1[C@@H](F)CCc2c1cccc2)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: 17.108 ± 0.004 Å
• b: 8.685 ± 0.002 Å
• c: 27.413 ± 0.006 Å
• α: 90°
• β: 96.397 ± 0.005°
• γ: 90°
• Cell volume: 4047.7 ± 1.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No