Information card for entry 4022048

Structure parameters

• Formula: C10 H13 I O3
• Calculated formula: C10 H13 I O3
• Title of publication: 2-Iodylphenol Ethers: Preparation, X-ray Crystal Structure, and Reactivity of New Hypervalent Iodine(V) Oxidizing Reagents
• Authors of publication: Alexey Y. Koposov; Rashad R. Karimov; Ivan M. Geraskin; Victor N. Nemykin; Viktor V. Zhdankin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 8452 - 8458
• a: 14.117 ± 0.005 Å
• b: 12.342 ± 0.003 Å
• c: 6.582 ± 0.005 Å
• α: 90°
• β: 98.8 ± 0.04°
• γ: 90°
• Cell volume: 1133.3 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.1264
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No