Information card for entry 4023917

Structure parameters

• Formula: C32 H47 N O6 S2 Si
• Calculated formula: C32 H47 N O6 S2 Si
• SMILES: C1[C@@H]([C@@]2(C[C@@]3(CCC[C@@H]([C@H]3CCCC)O[Si](C)(C)C(C)(C)C)N1O2)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.C1[C@H]([C@]2(C[C@]3(CCC[C@H]([C@@H]3CCCC)O[Si](C)(C)C(C)(C)C)N1O2)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
• Title of publication: A Stereoselective Approach to the Azaspiro[5.5]undecane Ring System Using a Conjugate Addition/Dipolar Cycloaddition Cascade: Application to the Total Synthesis of (±)-2,7,8-epi-Perhydrohistrionicotoxin
• Authors of publication: Michael S. Wilson; Albert Padwa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9601 - 9609
• a: 11.9551 ± 0.0009 Å
• b: 18.5416 ± 0.0014 Å
• c: 15.8097 ± 0.0012 Å
• α: 90°
• β: 109.276 ± 0.003°
• γ: 90°
• Cell volume: 3308 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No