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Information card for entry 1502534
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Coordinates | 1502534.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N-(1-ethoxy-2-(4-nitrophenylsulfonamido) -2-phenylethyl)-N-phenylbenzenesulfonamide |
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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 Å3 |
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 |
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