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Information card for entry 1573094
Preview
| Coordinates | 1573094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H24 N2 Se |
|---|---|
| Calculated formula | C29 H24 N2 Se |
| Title of publication | IBzH (IBenzhydryl): Sterically-Flexible N-Aliphatic N-Heterocyclic Carbenes (NHC) for Iron-Catalyzed C(sp3)–C(sp2) Cross-Coupling of Unactivated Haloalkanes |
| Authors of publication | Kardela, Marlena; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2024 |
| a | 8.3091 ± 0.0001 Å |
| b | 25.5056 ± 0.0002 Å |
| c | 11.3577 ± 0.0001 Å |
| α | 90° |
| β | 107.935 ± 0.001° |
| γ | 90° |
| Cell volume | 2290.06 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0252 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0623 |
| Weighted residual factors for all reflections included in the refinement | 0.0627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295881 (current) | 2024-11-13 | cif/ Adding structures of 1573093, 1573094 via cif-deposit CGI script. |
1573094.cif |
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Users of the data should acknowledge the original authors of the
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