Information card for entry 4123430

Structure parameters

• Formula: C20 H23 F O2 S
• Calculated formula: C20 H23 F O2 S
• SMILES: S(=O)(=O)([C@@H]1CCc2c(cccc2)[C@H]1F)c1ccc(cc1)C(C)(C)C.S(=O)(=O)([C@H]1CCc2c(cccc2)[C@@H]1F)c1ccc(cc1)C(C)(C)C
• Title of publication: Highly selective pd-catalyzed intermolecular fluorosulfonylation of styrenes.
• Authors of publication: Yuan, Zheliang; Wang, Hao-Yang; Mu, Xin; Chen, Pinhong; Guo, Yin-Long; Liu, Guosheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 7
• Pages of publication: 2468 - 2471
• a: 9.8742 ± 0.0016 Å
• b: 10.1722 ± 0.0016 Å
• c: 10.841 ± 0.0017 Å
• α: 70.213 ± 0.003°
• β: 63.296 ± 0.003°
• γ: 69.15 ± 0.003°
• Cell volume: 888 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0788
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No