Information card for entry 4302219

Structure parameters

• Formula: C16 H16 I2 O5
• Calculated formula: C16 H16 I2 O5
• SMILES: I(OI(OC(=O)C)c1ccccc1)(OC(=O)C)c1ccccc1
• Title of publication: Self-Assembly of Hydroxy(phenyl)iodonium Ions in Acidic Aqueous Solution: Preparation, and X-ray Crystal Structures of Oligomeric Phenyliodine(III) Sulfates
• Authors of publication: Victor N. Nemykin; Alexey Y. Koposov; Brian C. Netzel; Mekhman S. Yusubov; Viktor V. Zhdankin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4908 - 4917
• a: 11.946 ± 0.004 Å
• b: 9.383 ± 0.003 Å
• c: 17.097 ± 0.004 Å
• α: 90°
• β: 107.36 ± 0.02°
• γ: 90°
• Cell volume: 1829.1 ± 1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.1738
• Residual factor for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections: 2.5011
• Weighted residual factors for significantly intense reflections: 0.3041
• Weighted residual factors for all reflections included in the refinement: 0.3041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3556
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No