Information card for entry 7243119

Structure parameters

• Formula: C16 H15 I O2 S
• Calculated formula: C16 H15 I O2 S
• SMILES: I/C(=C(S(=O)(=O)c1ccc(C)cc1)\C)c1ccccc1
• Title of publication: Visible-light-induced surfactant-promoted sulfonylation of alkenes and alkynes with sulfonyl chloride by the formation of an EDA-complex with NaI in water at room temperature
• Authors of publication: Lin, Li; Yang, Zhonglie; Liu, Jianchen; Wang, Jingxia; Zheng, Jiale; Li, Jun-Long; Zhang, Xiaobin; Liu, Xiang-Wei; Jiang, Hezhong; Li, Jiahong
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 15
• Pages of publication: 5467 - 5473
• a: 5.4771 ± 0.0002 Å
• b: 9.0324 ± 0.0004 Å
• c: 31.6646 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1566.49 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0152
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections included in the refinement: 0.0348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No