Information card for entry 4105582

Structure parameters

• Formula: C26 H25 Cl N2 O5 S2
• Calculated formula: C26 H25 Cl N2 O5 S2
• Title of publication: Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones
• Authors of publication: Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1466 - 1474
• a: 10.7141 ± 0.0006 Å
• b: 24.593 ± 0.002 Å
• c: 30.357 ± 0.002 Å
• α: 90°
• β: 96.391 ± 0.006°
• γ: 90°
• Cell volume: 7949.1 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1288
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No