Information card for entry 7247486

Structure parameters

• Formula: C28 H24 F2 O4 S
• Calculated formula: C28 H24 F2 O4 S
• SMILES: S(=O)(=O)(C(c1ccc(Oc2ccccc2)cc1)CC(F)(F)c1cc(OC)ccc1)c1ccccc1
• Title of publication: Light-induced aryldifluoromethyl-sulfonylation/thioetherification of alkenes using arenethiolates as a photoreductant and sulfur source
• Authors of publication: Li, Jiayu; Guo, Zipeng; Zhang, Xiaofeng; Meng, Xiaoli; Dai, Zhenyang; Gao, Meiyun; Guo, Shuo; Tang, Pingping
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 9292 - 9300
• a: 15.093 ± 0.0006 Å
• b: 8.0955 ± 0.0003 Å
• c: 20.7666 ± 0.0007 Å
• α: 90°
• β: 105.204 ± 0.002°
• γ: 90°
• Cell volume: 2448.56 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0705
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No