Information card for entry 1544991

Structure parameters

• Formula: C18 H17 F3 O2 S2
• Calculated formula: C18 H17 F3 O2 S2
• SMILES: S(=O)(=O)([C@@H]1[C@@H](SC(F)(F)F)c2ccccc2CCC1)c1ccccc1.S(=O)(=O)([C@H]1[C@H](SC(F)(F)F)c2ccccc2CCC1)c1ccccc1
• Title of publication: Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes
• Authors of publication: Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 2610
• a: 11.2567 ± 0.0007 Å
• b: 11.6409 ± 0.0007 Å
• c: 27.0758 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3548 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1464
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No