Information card for entry 1502534

Structure parameters

• Chemical name: N-(1-ethoxy-2-(4-nitrophenylsulfonamido) -2-phenylethyl)-N-phenylbenzenesulfonamide
• Formula: C28 H27 N3 O7 S2
• Calculated formula: C28 H27 N3 O7 S2
• SMILES: S(=O)(=O)(N(c1ccccc1)[C@@H](OCC)[C@H](NS(=O)(=O)c1ccc(N(=O)=O)cc1)c1ccccc1)c1ccccc1.S(=O)(=O)(N(c1ccccc1)[C@H](OCC)[C@@H](NS(=O)(=O)c1ccc(N(=O)=O)cc1)c1ccccc1)c1ccccc1
• Title of publication: Copper(I) catalyzed regioselective asymmetric alkoxyamination of aryl enamide derivatives.
• Authors of publication: Nakanishi, Masafumi; Minard, Corinne; Retailleau, Pascal; Cariou, Kevin; Dodd, Robert H.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 5792 - 5795
• a: 10.901 ± 0.005 Å
• b: 9.946 ± 0.005 Å
• c: 26.646 ± 0.01 Å
• α: 90°
• β: 100.45 ± 0.01°
• γ: 90°
• Cell volume: 2841 ± 2 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: 0.0806
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No