Information card for entry 7151190

Structure parameters

• Formula: C36 H51 N O3 Si
• Calculated formula: C36 H51 N O3 Si
• SMILES: [C@@H]([C@@H](O[Si](C(C)(C)C)(C)C)c1ccccc1)(N([C@H](c1ccccc1)C)Cc1ccccc1)[C@@H](C(=O)OC(C)(C)C)C
• Title of publication: Asymmetric synthesis of beta-amino-gamma-substituted-gamma-butyrolactones: double diastereoselective conjugate addition of homochiral lithium amides to homochiral alpha,beta-unsaturated esters.
• Authors of publication: Cailleau, Thaïs; Cooke, Jason W. B.; Davies, Stephen G.; Ling, Kenneth B.; Naylor, Alan; Nicholson, Rebecca L.; Price, Paul D.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 3922 - 3931
• a: 11.4449 ± 0.0002 Å
• b: 11.8 ± 0.0002 Å
• c: 14.6478 ± 0.0002 Å
• α: 71.901 ± 0.0006°
• β: 67.6483 ± 0.0007°
• γ: 76.207 ± 0.0008°
• Cell volume: 1722.68 ± 0.05 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No