Information card for entry 4131579

Structure parameters

• Formula: C18 H21 I O8
• Calculated formula: C18 H21 I O8
• SMILES: Ic1c(O[C@@H]2O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]2OC(=O)C)C)cccc1
• Title of publication: o-(p-Methoxyphenylethynyl)phenyl Glycosides: Versatile New Glycosylation Donors for the Highly Efficient Construction of Glycosidic Linkages.
• Authors of publication: Hu, Yang; Yu, Ke; Shi, Li-Li; Liu, Lei; Sui, Jing-Jing; Liu, De-Yong; Xiong, Bin; Sun, Jian-Song
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 36
• Pages of publication: 12736 - 12744
• a: 7.967 ± 0.001 Å
• b: 8.4581 ± 0.0011 Å
• c: 30.254 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2038.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No