Information card for entry 4026822

Structure parameters

• Formula: C20 H27 I O6
• Calculated formula: C20 H27 I O6
• SMILES: I[C@H]1[C@H](O[C@@H]([C@@H]2OC(O[C@H]12)(C)C)[C@@H]1OC(OC1)(C)C)c1ccc(OC)cc1
• Title of publication: Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis
• Authors of publication: Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 96 - 107
• a: 26.3811 ± 0.0009 Å
• b: 6.9702 ± 0.0003 Å
• c: 11.4961 ± 0.0005 Å
• α: 90°
• β: 96.058 ± 0.002°
• γ: 90°
• Cell volume: 2102.12 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No