Information card for entry 4024955

Structure parameters

• Formula: C14 H14 I N O4 S
• Calculated formula: C14 H14 I N O4 S
• Title of publication: Preparation, X-ray Structure, and Oxidative Reactivity of N-(2-Iodylphenyl)tosylamides and 2-Iodylphenyl Tosylate: Iodylarenes Stabilized by Ortho-Substitution with a Sulfonyl Group
• Authors of publication: Artur K. Mailyan; Ivan M. Geraskin; Victor N. Nemykin; Viktor V. Zhdankin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8444 - 8447
• a: 25.253 ± 0.003 Å
• b: 8.3071 ± 0.0011 Å
• c: 16.289 ± 0.002 Å
• α: 90°
• β: 117.351 ± 0.002°
• γ: 90°
• Cell volume: 3035.1 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for all reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No