Information card for entry 4027923

Structure parameters

• Formula: C26 H58 O4 S Si3
• Calculated formula: C26 H58 O4 S Si3
• SMILES: S([C@H]1O[C@H]([C@@H](O[Si](C)(C(C)(C)C)C)[C@@H](O[Si](C)(C(C)(C)C)C)[C@@H]1O[Si](C(C)(C)C)(C)C)C)CC
• Title of publication: Development of Fully and Partially Protected Fucosyl Donors for Oligosaccharide Synthesis
• Authors of publication: Robin Daly; Thomas McCabe; Eoin M. Scanlan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 1080 - 1090
• a: 10.811 ± 0.002 Å
• b: 14.427 ± 0.003 Å
• c: 21.917 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3418.4 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No