Information card for entry 4505634

Structure parameters

• Formula: C18 H20 I N O5 S
• Calculated formula: C18 H20 I N O5 S
• Title of publication: Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist
• Authors of publication: Guilbault, Audrey-Anne; Legault, Claude Y.
• Journal of publication: ACS Catalysis
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 219
• a: 9.806 ± 0.002 Å
• b: 12.76 ± 0.006 Å
• c: 15.657 ± 0.006 Å
• α: 90°
• β: 102.62 ± 0.03°
• γ: 90°
• Cell volume: 1911.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1051
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No