Information card for entry 1512105

Structure parameters

• Common name: CP254PPP
• Formula: C24 H27 N O4 S
• Calculated formula: C24 H27 N O4 S
• SMILES: S(=O)(=O)(c1ccccc1)/C=C/[C@]1(N(C(=O)CC[C@@H]1CC(=O)C)Cc1ccccc1)C.S(=O)(=O)(c1ccccc1)/C=C/[C@@]1(N(C(=O)CC[C@H]1CC(=O)C)Cc1ccccc1)C
• 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: 11.3759 ± 0.0012 Å
• b: 11.6984 ± 0.0012 Å
• c: 15.9768 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2126.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No