Information card for entry 7155266

Structure parameters

• Formula: C18 H21 I N2 O6 S
• Calculated formula: C18 H21 I N2 O6 S
• Title of publication: PIFA-mediated ethoxyiodination of enamides with potassium iodide.
• Authors of publication: Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 36
• Pages of publication: 8448 - 8451
• a: 6.7507 ± 0.0004 Å
• b: 14.1829 ± 0.0007 Å
• c: 43.847 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4198.1 ± 0.4 ų
• Cell temperature: 292.8 ± 0.2 K
• Ambient diffraction temperature: 292.8 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No