Information card for entry 1554519

Structure parameters

• Formula: C23 H21 N O3 S
• Calculated formula: C23 H21 N O3 S
• SMILES: S(=O)(=O)(c1ccccc1)/C=C(/N(C(=O)C)Cc1ccccc1)c1ccccc1
• Title of publication: Cu(OTf)2-mediated C(sp2)‒H arylsulfonylation of enamides via the insertion of sulfur dioxide
• Authors of publication: Zhu, Tong-Hao; Zhang, Xiao-Chen; Zhao, Kai; Loh, Teck-Peng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 94
• a: 8.3257 ± 0.0007 Å
• b: 15.1988 ± 0.0012 Å
• c: 16.3404 ± 0.0013 Å
• α: 90°
• β: 95.005 ± 0.004°
• γ: 90°
• Cell volume: 2059.8 ± 0.3 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No