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Information card for entry 4518678
Preview
| Coordinates | 4518678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H23 Cl F N |
|---|---|
| Calculated formula | C22 H23 Cl F N |
| Title of publication | Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst |
| Authors of publication | Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 8 |
| Pages of publication | 4862 - 4869 |
| a | 14.5798 ± 0.0005 Å |
| b | 9.6574 ± 0.0003 Å |
| c | 15.0886 ± 0.0005 Å |
| α | 90° |
| β | 115.724 ± 0.001° |
| γ | 90° |
| Cell volume | 1913.97 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264795 (current) | 2021-05-03 | cif/ Adding structures of 4518678 via cif-deposit CGI script. |
4518678.cif |
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Users of the data should acknowledge the original authors of the
structural data.