Information card for entry 1520117

Structure parameters

• Formula: C17.5 H18 F8 I O3.5 S2
• Calculated formula: C17.5 H18 F8 I O3.5 S2
• SMILES: [I+](c1c(cc(cc1C)C)C)c1cc(S(F)(F)(F)(F)F)ccc1.S(=O)(=O)([O-])C(F)(F)F.O=C(C)C
• Title of publication: Synthesis of Diaryliodonium Salts Having Pentafluorosulfanylarenes and Their Application to Electrophilic Pentafluorosulfanylarylation of C-, O-, N-, and S-Nucleophiles.
• Authors of publication: Matsuzaki, Kohei; Okuyama, Kenta; Tokunaga, Etsuko; Saito, Norimichi; Shiro, Motoo; Shibata, Norio
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 3038 - 3041
• a: 8.9435 ± 0.0002 Å
• b: 12.1892 ± 0.0003 Å
• c: 12.2642 ± 0.0003 Å
• α: 63.163 ± 0.001°
• β: 87.526 ± 0.001°
• γ: 77.6 ± 0.001°
• Cell volume: 1162.92 ± 0.05 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No