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Information card for entry 1552148
Preview
| Coordinates | 1552148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H31 Cl N2 O3 S |
|---|---|
| Calculated formula | C29 H31 Cl N2 O3 S |
| SMILES | S(=O)(=O)(N1CCC(/C=C(/N(C(=O)C)Cc2ccccc2)c2ccc(Cl)cc2)CC1)c1ccc(cc1)C |
| Title of publication | Photoredox-Catalyzed Stereoselective Alkylation of Enamides with N-Hydroxyphthalimide Esters via Decarboxylative Cross-Coupling Reactions |
| Authors of publication | Guo, Jing-Yu; Zhang, Ze-Yu; Guan, Ting; Mao, Lei-Wen; Ban, Qian; ZHAO, KAI; Loh, Teck-Peng |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.6862 ± 0.0013 Å |
| b | 27.986 ± 0.003 Å |
| c | 10.6712 ± 0.0013 Å |
| α | 90° |
| β | 118.639 ± 0.004° |
| γ | 90° |
| Cell volume | 2800.9 ± 0.6 Å3 |
| Cell temperature | 303 ± 2 K |
| Ambient diffraction temperature | 303 ± 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 | 0.0675 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1211 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217406 (current) | 2019-08-06 | cif/ Adding structures of 1552148 via cif-deposit CGI script. |
1552148.cif |
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Users of the data should acknowledge the original authors of the
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