Information card for entry 4515022

Structure parameters

• Common name: Novak
• Formula: C11 H8 Br F6 I O6 S2
• Calculated formula: C11 H8 Br F6 I O6 S2
• SMILES: C(=C(\CBr)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: 8.0462 ± 0.0004 Å
• b: 10.4191 ± 0.0005 Å
• c: 11.8606 ± 0.0005 Å
• α: 72.625 ± 0.001°
• β: 85.102 ± 0.002°
• γ: 89.061 ± 0.002°
• Cell volume: 945.44 ± 0.08 ų
• Cell temperature: 298 ± 0.1 K
• Ambient diffraction temperature: 298 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No