Information card for entry 7157607

Structure parameters

• Formula: C28 H25 I O4 S
• Calculated formula: C28 H25 I O4 S
• SMILES: [I+](c1ccccc1C(=C)c1ccccc1)c1ccc(OC)cc1.c1(ccc(cc1)C)S(=O)(=O)[O-]
• Title of publication: Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.
• Authors of publication: Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 31
• Pages of publication: 6140 - 6146
• a: 13.148 ± 0.003 Å
• b: 13.175 ± 0.002 Å
• c: 16.115 ± 0.003 Å
• α: 83.966 ± 0.003°
• β: 86.472 ± 0.003°
• γ: 60.099 ± 0.003°
• Cell volume: 2406.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No