Information card for entry 7152796

Structure parameters

• Formula: C19 H17 I O3
• Calculated formula: C19 H17 I O3
• Title of publication: Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.
• Authors of publication: Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1226 - 1233
• a: 11.8628 ± 0.0012 Å
• b: 5.9193 ± 0.0006 Å
• c: 12.0256 ± 0.0012 Å
• α: 90°
• β: 96.191 ± 0.001°
• γ: 90°
• Cell volume: 839.51 ± 0.15 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No