Information card for entry 1512104

Structure parameters

• Formula: C23 H25 N O4 S
• Calculated formula: C23 H25 N O4 S
• SMILES: S(=O)(=O)(/C=C/[C@@H]1N(Cc2ccccc2)C(=O)CC[C@H]1CC(=O)C)c1ccccc1.S(=O)(=O)(/C=C/[C@H]1N(Cc2ccccc2)C(=O)CC[C@@H]1CC(=O)C)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: 12.5589 ± 0.0009 Å
• b: 8.3367 ± 0.0006 Å
• c: 21.2041 ± 0.0016 Å
• α: 90°
• β: 93.547 ± 0.003°
• γ: 90°
• Cell volume: 2215.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No