Information card for entry 1518273

Structure parameters

• Formula: C19 H31 N O5 S Si
• Calculated formula: C19 H31 N O5 S Si
• SMILES: [C@H]1(C[C@H](C(=O)OC)N1S(=O)(=O)c1ccc(cc1)C)CO[Si](C)(C)C(C)(C)C
• Title of publication: Robust Synthesis of N-Sulfonylazetidine Building Blocks via Ring Contraction of α-Bromo N-Sulfonylpyrrolidinones.
• Authors of publication: Kern, Nicolas; Felten, Anne-Sophie; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurélien
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 6104
• a: 6.3758 ± 0.0001 Å
• b: 7.2968 ± 0.0003 Å
• c: 23.1833 ± 0.0009 Å
• α: 90°
• β: 90.148 ± 0.005°
• γ: 90°
• Cell volume: 1078.55 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0602
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No