Information card for entry 4114721

Structure parameters

• Formula: C21 H25 N O5 Si
• Calculated formula: C21 H25 N O5 Si
• SMILES: [Si](C[C@@H]1OC[C@H]([C@H]1C)OC(=O)c1ccc(cc1)N(=O)=O)(C)(C)c1ccccc1.[Si](C[C@H]1OC[C@@H]([C@@H]1C)OC(=O)c1ccc(cc1)N(=O)=O)(C)(C)c1ccccc1
• Title of publication: Stereoselective Synthesis of Tetrahydrofurans via Formal [3+2]-Cycloaddition of Aldehydes and Allylsilanes. Formal Total Synthesis of the Muscarine Alkaloids (-)-Allomuscarine and (+)-Epimuscarine
• Authors of publication: Steven R. Angle; Nahla A. El-Said
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 3608 - 3613
• a: 7.348 ± 0.004 Å
• b: 12.026 ± 0.006 Å
• c: 12.432 ± 0.006 Å
• α: 107.506 ± 0.008°
• β: 90.37 ± 0.009°
• γ: 95.405 ± 0.009°
• Cell volume: 1042.3 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No