Information card for entry 1503158

Structure parameters

• Formula: C22 H35 N3 O6 S Si
• Calculated formula: C22 H35 N3 O6 S Si
• SMILES: C1COCCN1[C@@](C#C)(C)[C@@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1c(cccc1)N(=O)=O
• Title of publication: Ring opening of a trisubstituted aziridine with amines: regio- and stereoselective formation of substituted 1,2-diamines.
• Authors of publication: Kelley, Brandon T.; Joullié, Madeleine M
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 19
• Pages of publication: 4244 - 4247
• a: 31.131 ± 0.003 Å
• b: 7.805 ± 0.0007 Å
• c: 22.844 ± 0.002 Å
• α: 90°
• β: 110.163 ± 0.004°
• γ: 90°
• Cell volume: 5210.4 ± 0.8 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No