Information card for entry 4110170

Structure parameters

• Formula: C18 H26 N2 O5 S Si
• Calculated formula: C18 H26 N2 O5 S Si
• SMILES: S(=O)(=O)(n1c(c(cc1)C)CO[Si](C)(C)C(C)(C)C)c1ccccc1N(=O)=O
• 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: 17.5634 ± 0.0015 Å
• b: 7.9314 ± 0.0006 Å
• c: 15.64 ± 0.0014 Å
• α: 90°
• β: 105.345 ± 0.002°
• γ: 90°
• Cell volume: 2101 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.068
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No