Information card for entry 4026289

Structure parameters

• Formula: C8 H14 I N O5
• Calculated formula: C8 H14 I N O5
• Title of publication: Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents
• Authors of publication: Akira Yoshimura; Christopher T. Banek; Mekhman S. Yusubov; Victor N. Nemykin; Viktor V. Zhdankin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3812 - 3819
• a: 9.1841 ± 0.0003 Å
• b: 10.313 ± 0.0005 Å
• c: 12.2949 ± 0.0008 Å
• α: 82.634 ± 0.006°
• β: 85.041 ± 0.006°
• γ: 82.063 ± 0.006°
• Cell volume: 1141.04 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9781
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No