Information card for entry 4105631

Structure parameters

• Formula: C27 H24 N2 O5 S2
• Calculated formula: C27 H24 N2 O5 S2
• SMILES: c1ccccc1S(=O)(=O)N(c1cc(c2ccc(C)cc2)ccc1NC(=O)C)S(=O)(=O)c1ccccc1
• Title of publication: Palladium-Catalyzed C-H Aminations of Anilides with N-Fluorobenzenesulfonimide
• Authors of publication: Kai Sun; Yan Li; Tao Xiong; Jingping Zhang; Qian Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1694 - 1697
• a: 9.889 ± 0.005 Å
• b: 11.32 ± 0.005 Å
• c: 12.066 ± 0.005 Å
• α: 99.648 ± 0.005°
• β: 105.586 ± 0.005°
• γ: 100.964 ± 0.005°
• Cell volume: 1242.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No