Information card for entry 7229499

Structure parameters

• Formula: C23 H18 N2 O4 S
• Calculated formula: C23 H18 N2 O4 S
• SMILES: S(=O)(=O)(c1c2c(nccc2)c(NC(=O)c2ccccc2)cc1)c1ccc(OC)cc1
• Title of publication: Cobalt(ii)-catalyzed remote C5-selective C‒H sulfonylation of quinolines via insertion of sulfur dioxide
• Authors of publication: Wang, Kai; Wang, Guodong; Duan, Guiyun; Xia, Chengcai
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 81
• Pages of publication: 51313
• a: 10.136 ± 0.003 Å
• b: 10.173 ± 0.003 Å
• c: 11.012 ± 0.003 Å
• α: 104.003 ± 0.003°
• β: 97.178 ± 0.003°
• γ: 111.781 ± 0.003°
• Cell volume: 993.6 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0607
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No