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Information card for entry 4519092
Preview
| Coordinates | 4519092.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H13 Cl4 N O6 |
|---|---|
| Calculated formula | C20 H13 Cl4 N O6 |
| SMILES | Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)[C@H]1OCC[C@@H]1OC(=O)c1ccc(OC)cc1.Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)[C@@H]1OCC[C@H]1OC(=O)c1ccc(OC)cc1 |
| Title of publication | Hydroesterification and Difunctionalization of Olefins with N-Hydroxyphthalimide Esters |
| Authors of publication | Leng, Lingying; Ready, Joseph M. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 13714 - 13720 |
| a | 27.73 ± 0.005 Å |
| b | 7.9612 ± 0.0013 Å |
| c | 19.899 ± 0.003 Å |
| α | 90° |
| β | 115.585 ± 0.005° |
| γ | 90° |
| Cell volume | 3962.2 ± 1.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0294 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270231 (current) | 2021-11-03 | cif/ Adding structures of 4519092 via cif-deposit CGI script. |
4519092.cif |
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Users of the data should acknowledge the original authors of the
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