Information card for entry 7104716

Structure parameters

• Formula: C20 H22 O6
• Calculated formula: C20 H22 O6
• SMILES: O1[C@]23C(=O)c4c([C@H]1C[C@@H]2CC(C3)(C(=O)OCC)C(=O)OCC)cccc4.O1[C@@]23C(=O)c4c([C@@H]1C[C@H]2CC(C3)(C(=O)OCC)C(=O)OCC)cccc4
• Title of publication: A novel iodine-mediated tandem cyclization-cycloaddition reaction leading to polyoxacyclic ring systems.
• Authors of publication: Xie, Yong-Xin; Yan, Ze-Yi; Qian, Bo; Deng, Wen-Ye; Wang, Dan-Zhu; Wu, Lu-Yong; Liu, Xue-Yuan; Liang, Yong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 36
• Pages of publication: 5451 - 5453
• a: 28.2 ± 0.03 Å
• b: 9.085 ± 0.009 Å
• c: 17.51 ± 0.02 Å
• α: 90°
• β: 122.27 ± 0.03°
• γ: 90°
• Cell volume: 3794 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No