Information card for entry 4124892

Structure parameters

• Formula: C16 H11 F20 Li O6 S
• Calculated formula: C16 H3 F20 Li O6 S
• SMILES: [S-]12OC(c3c1c(ccc3)C(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)O2)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li]([OH2])([OH2])([OH2])[OH2]
• 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: 11.4151 ± 0.0011 Å
• b: 14.6893 ± 0.0014 Å
• c: 16.2421 ± 0.0016 Å
• α: 70.277 ± 0.001°
• β: 78.78 ± 0.001°
• γ: 73.648 ± 0.001°
• Cell volume: 2445 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0508
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No