Information card for entry 4110953

Structure parameters

• Formula: C31 H43 N O3 S Si2
• Calculated formula: C31 H43 N O3 S Si2
• SMILES: S(=O)(=O)(N1[C@@H]([C@H](O)[C@@H]([Si](c2ccccc2)(C)C)[C@@H]1C[Si](c1ccccc1)(C)C)C(C)C)c1ccc(cc1)C.S(=O)(=O)(N1[C@H]([C@@H](O)[C@H]([Si](c2ccccc2)(C)C)[C@H]1C[Si](c1ccccc1)(C)C)C(C)C)c1ccc(cc1)C
• Title of publication: Stereoselective Synthesis of Functionalized Pyrrolidines via a [3 + 2]-Annulation of N-Ts-α-Amino Aldehydes and 1,3-Bis(silyl)propenes
• Authors of publication: Per Restorp; Andreas Fischer; Peter Somfai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12646 - 12647
• a: 11.099 ± 0.002 Å
• b: 20.496 ± 0.004 Å
• c: 14.776 ± 0.003 Å
• α: 90°
• β: 103.88 ± 0.02°
• γ: 90°
• Cell volume: 3263.2 ± 1.1 ų
• Cell temperature: 299 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1636
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No