Information card for entry 1567011

Structure parameters

• Common name: (Phenyliodosyl)benzene tosylate dihydrate
• Chemical name: Oxodiphenyl-λ^5^-iodanylium 4-methylbenzenesulfonate dihydrate
• Formula: C19 H21 I O6 S
• Calculated formula: C19 H21 I O6 S
• Title of publication: (Phenyliodosyl)benzene tosylate dihydrate
• Authors of publication: Smith, Timothy J.; Koser, Gerald; Chen, Yi; Zeller, Matthias; Iacino, Rocco; Selzer, Nichole
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 5
• Pages of publication: x220522
• a: 6.1823 ± 0.0003 Å
• b: 24.9509 ± 0.0011 Å
• c: 12.7606 ± 0.0006 Å
• α: 90°
• β: 100.257 ± 0.002°
• γ: 90°
• Cell volume: 1936.92 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0218
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes