Information card for entry 2012479

Structure parameters

• Chemical name: (Z)-2-methylbut-1-en-1-yl-(3,5-dichlorophenyl)iodonium trifluoromethanesulfonate
• Formula: C12 H12 Cl2 F3 I O3 S
• Calculated formula: C12 H12 Cl2 F3 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: 9.1705 ± 0.001 Å
• b: 13.4357 ± 0.0015 Å
• c: 15.603 ± 0.0017 Å
• α: 69.245 ± 0.01°
• β: 88.342 ± 0.01°
• γ: 74.358 ± 0.01°
• Cell volume: 1726.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.104
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes