Information card for entry 1512106

Structure parameters

• Common name: CP197PPf2'
• Formula: C21 H31 N O5 S Si
• Calculated formula: C21 H31 N O5 S Si
• SMILES: S(=O)(=O)(/C=C/[C@H]([C@H]([Si](C)(C)C)CC(=O)OCC)N1CCCC1=O)c1ccccc1.S(=O)(=O)(/C=C/[C@@H]([C@@H]([Si](C)(C)C)CC(=O)OCC)N1CCCC1=O)c1ccccc1
• Title of publication: Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates.
• Authors of publication: Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2814 - 2817
• a: 11.7276 ± 0.0007 Å
• b: 9.507 ± 0.0006 Å
• c: 20.4752 ± 0.0013 Å
• α: 90°
• β: 100.808 ± 0.001°
• γ: 90°
• Cell volume: 2242.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0334
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No