Information card for entry 7122219

Structure parameters

• Formula: C24 H19 Br I2 O2
• Calculated formula: C24 H19 Br I2 O2
• SMILES: [I+](c1ccc(O)cc1)c1ccccc1.[Br-].[I+](c1ccccc1)c1ccc([O-])cc1
• 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: 11.0912 ± 0.0003 Å
• b: 18.5647 ± 0.0013 Å
• c: 10.9748 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2259.76 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No