Information card for entry 7122221

Structure parameters

• Formula: C11 H8 F3 I O4 S2
• Calculated formula: C11 H8 F3 I O4 S2
• Title of publication: Preparation and structure of phenolic aryliodonium salts.
• Authors of publication: Yoshimura, Akira; Shea, Michael T.; Guselnikova, Olga; Postnikov, Pavel S.; Rohde, Gregory T.; Saito, Akio; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 73
• Pages of publication: 10363 - 10366
• a: 12.296 ± 0.003 Å
• b: 10.711 ± 0.002 Å
• c: 12.599 ± 0.002 Å
• α: 90°
• β: 115.117 ± 0.008°
• γ: 90°
• Cell volume: 1502.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No