Information card for entry 7151062

Structure parameters

• Common name: 05263
• Formula: C22 H35 N O4 Si
• Calculated formula: C22 H35 N O4 Si
• SMILES: O1CCCC[C@@]1([C@@H](C=C)O[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1.O1CCCC[C@]1([C@H](C=C)O[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1
• Title of publication: An unusual stereoselectivity in the anomeric substitution with carbamates promoted by HNTf2.
• Authors of publication: Ko, Changhong; Hsung, Richard P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 431 - 434
• a: 18.967 ± 0.003 Å
• b: 12.7861 ± 0.0018 Å
• c: 19.491 ± 0.003 Å
• α: 90°
• β: 96.878 ± 0.002°
• γ: 90°
• Cell volume: 4692.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No