Information card for entry 4124890

Structure parameters

• Formula: C16 H3 F20 I O2
• Calculated formula: C16 H3 F20 I O2
• SMILES: [I]12c3c(cccc3C(O1)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(O2)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
• 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: 8.495 ± 0.005 Å
• b: 9.151 ± 0.005 Å
• c: 13.099 ± 0.007 Å
• α: 94.05 ± 0.006°
• β: 90.403 ± 0.006°
• γ: 90.57 ± 0.006°
• Cell volume: 1015.7 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0858
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2446
• Weighted residual factors for all reflections included in the refinement: 0.2954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No