Information card for entry 4124891

Structure parameters

• Formula: C24 H23 F20 N O2 S
• Calculated formula: C24 H23 F20 N O2 S
• SMILES: c12c3cccc2C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)O[S-]1OC3(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F.[N+](CC)(CC)(CC)CC
• Title of publication: Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.
• Authors of publication: Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 2
• Pages of publication: 479 - 482
• a: 11.9982 ± 0.001 Å
• b: 15.44 ± 0.0013 Å
• c: 15.5724 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2884.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No