Information card for entry 4110168

Structure parameters

• Formula: C18 H26 N2 O5 S Si
• Calculated formula: C18 H26 N2 O5 S Si
• SMILES: [C@H]1([C@@](C)(C#C)N1S(=O)(=O)c1c(cccc1)N(=O)=O)CO[Si](C)(C)C(C)(C)C
• Title of publication: A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines
• Authors of publication: Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14463 - 14469
• a: 9.7191 ± 0.0016 Å
• b: 7.6773 ± 0.0012 Å
• c: 14.461 ± 0.002 Å
• α: 90°
• β: 100.581 ± 0.004°
• γ: 90°
• Cell volume: 1060.7 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No