Information card for entry 7112903

Structure parameters

• Formula: C20 H22 I2 O5
• Calculated formula: C20 H22 I2 O5
• SMILES: [I]1(O[I](OC(=O)C)c2c(c3c1cc(cc3C)C)c(cc(c2)C)C)OC(=O)C
• Title of publication: Designer μ-oxo-bridged hypervalent iodine(III) organocatalysts for greener oxidations.
• Authors of publication: Dohi, Toshifumi; Takenaga, Naoko; Fukushima, Kei-Ichiro; Uchiyama, Teruyoshi; Kato, Daishi; Motoo, Shiro; Fujioka, Hiromichi; Kita, Yasuyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 41
• Pages of publication: 7697 - 7699
• a: 9.9139 ± 0.0007 Å
• b: 10.7578 ± 0.0008 Å
• c: 20.8239 ± 0.0015 Å
• α: 90°
• β: 104.424 ± 0.007°
• γ: 90°
• Cell volume: 2150.9 ± 0.3 ų
• Cell temperature: 153.1 K
• Ambient diffraction temperature: 153.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No