Information card for entry 7155110

Structure parameters

• Formula: C23 H20 N2 O4 S2
• Calculated formula: C23 H20 N2 O4 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccccc1)Cc1cc(cc2c1nccc2)C)c1ccccc1
• Title of publication: Copper-catalyzed intermolecular amidation of 8-methylquinolines with N-fluoroarylsulfonimides via Csp(3)-H activation.
• Authors of publication: Zhang, Xiaolei; Wu, Rui; Liu, Wanyi; Qian, Dang-Wei; Yang, Jinhui; Jiang, Pengju; Zheng, Qing-Zhong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 4789 - 4793
• a: 8.4625 ± 0.0004 Å
• b: 22.0335 ± 0.0009 Å
• c: 33.7885 ± 0.0014 Å
• α: 90°
• β: 90.083 ± 0.001°
• γ: 90°
• Cell volume: 6300.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1493
• Residual factor for significantly intense reflections: 0.1272
• Weighted residual factors for significantly intense reflections: 0.2561
• Weighted residual factors for all reflections included in the refinement: 0.2668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No