Information card for entry 4021709

Structure parameters

• Common name: Paquette 1365
• Formula: C22 H36 O6 Si
• Calculated formula: C22 H36 O6 Si
• SMILES: [Si](O[C@H]1[C@@]2(O[C@@H](CCC2)[C@H](O)[C@H]1OCc1ccc(OC)cc1)O)(C)(C)C(C)(C)C
• Title of publication: From Common Carbohydrates to Enantiopure Cyclooctane Polyols and Glycomimetics via Deoxygenative Zirconocene Ring Contraction
• Authors of publication: Leo A. Paquette; Yunlong Zhang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 4353 - 4363
• a: 7.5 ± 0.001 Å
• b: 10.249 ± 0.002 Å
• c: 29.643 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2278.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No