Information card for entry 7062382

Structure parameters

• Formula: C21 H21 N O3 S
• Calculated formula: C21 H21 N O3 S
• SMILES: S(=O)(=N)(c1c(c2ccc(OC)cc2)cccc1c1ccc(OC)cc1)C
• Title of publication: Rh(iii)-catalyzed direct ortho-C–H diarylation of arylsulfoximines with arylsilanes
• Authors of publication: Zhang, Xiuqi; Zhang, Jie; Li, Lin; Zhang, Fukuan; Luo, Xuzhong; Luo, Haiqing
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 6536 - 6539
• a: 9.0766 ± 0.0003 Å
• b: 9.3193 ± 0.0003 Å
• c: 11.4115 ± 0.0004 Å
• α: 73.245 ± 0.003°
• β: 83.671 ± 0.003°
• γ: 84.492 ± 0.002°
• Cell volume: 916.57 ± 0.06 ų
• Cell temperature: 294.67 ± 0.12 K
• Ambient diffraction temperature: 294.67 ± 0.12 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: 0.0498
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No