Information card for entry 4124896

Structure parameters

• Formula: C16 H3 F20 O2 Se
• Calculated formula: C16 H3 F20 O2 Se
• SMILES: [Se]12c3c(cccc3C(O2)(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(O1)(C(C(F)(F)F)(F)F)C(C(F)(F)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: 11.7263 ± 0.001 Å
• b: 11.8526 ± 0.001 Å
• c: 15.8755 ± 0.0013 Å
• α: 90°
• β: 105.809 ± 0.001°
• γ: 90°
• Cell volume: 2123 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No