Information card for entry 4023918

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: 10.0794 ± 0.0017 Å
• b: 11.2603 ± 0.0018 Å
• c: 16.212 ± 0.002 Å
• α: 80.164 ± 0.008°
• β: 82.222 ± 0.008°
• γ: 69.838 ± 0.008°
• Cell volume: 1696 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1658
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No