Information card for entry 4124893

Structure parameters

• Formula: C24 H23 F20 N O2 Se
• Calculated formula: C24 H23 F20 N O2 Se
• SMILES: [Se-]12OC(c3c2c(C(O1)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)ccc3)(C(F)(F)C(F)(F)F)C(F)(F)C(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: 11.6841 ± 0.0008 Å
• b: 15.377 ± 0.001 Å
• c: 17.5469 ± 0.0012 Å
• α: 90°
• β: 109.009 ± 0.002°
• γ: 90°
• Cell volume: 2980.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No