Information card for entry 4515023

Structure parameters

• Common name: Novak
• Formula: C16 H11 F6 I O6 S2
• Calculated formula: C16 H11 F6 I O6 S2
• SMILES: C(=C(\c1ccccc1)OS(=O)(=O)C(F)(F)F)\[I+]c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.
• Authors of publication: Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 9188 - 9197
• a: 10.9954 ± 0.0003 Å
• b: 8.8851 ± 0.0003 Å
• c: 22.5828 ± 0.0008 Å
• α: 90°
• β: 98.553 ± 0.001°
• γ: 90°
• Cell volume: 2181.7 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No