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Information card for entry 7246554
Preview
| Coordinates | 7246554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N2 |
|---|---|
| Calculated formula | C20 H18 N2 |
| SMILES | N1[C@H]([C@H](Nc2c1cccc2)c1ccccc1)c1ccccc1 |
| Title of publication | A recyclable rhodium catalyst anchored onto a bipyridine covalent triazine framework for transfer hydrogenation of N-heteroarenes in water |
| Authors of publication | Everaert, Jonas; Leus, Karen; Rijckaert, Hannes; Debruyne, Maarten; Van Hecke, Kristof; Morent, Rino; De Geyter, Nathalie; Van Speybroeck, Veronique; Van Der Voort, Pascal; Stevens, Christian V. |
| Journal of publication | Green Chemistry |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 8 |
| Pages of publication | 3267 - 3277 |
| a | 12.54957 ± 0.00013 Å |
| b | 5.45668 ± 0.00004 Å |
| c | 21.5051 ± 0.0003 Å |
| α | 90° |
| β | 100.046 ± 0.001° |
| γ | 90° |
| Cell volume | 1450.07 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0378 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.0962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283363 (current) | 2023-05-05 | cif/ Updating files of 7246554 Original log message: Adding full bibliography for 7246554.cif. |
7246554.cif |
| 282227 | 2023-04-04 | cif/ Adding structures of 7246554 via cif-deposit CGI script. |
7246554.cif |
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Users of the data should acknowledge the original authors of the
structural data.