Information card for entry 2012478

Structure parameters

• Chemical name: (Z)-2-methylbut-1-en-1-yl-(4-trifluoromethylphenyl)iodonium trifluoromethanesulfonate
• Formula: C13 H13 F6 I O3 S
• Calculated formula: C13 H13 F6 I O3 S
• Title of publication: (<i>Z</i>)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety
• Authors of publication: Hinkle, Robert J.; McDonald, Robert
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o117 - o121
• a: 6.5676 ± 0.0007 Å
• b: 17.2459 ± 0.0018 Å
• c: 15.7394 ± 0.0016 Å
• α: 90°
• β: 96.803 ± 0.01°
• γ: 90°
• Cell volume: 1770.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes