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Information card for entry 4088406
Preview
| Coordinates | 4088406.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H34 B2 Fe N8 |
|---|---|
| Calculated formula | C26 H34 B2 Fe N8 |
| SMILES | c1ccccc1.[Fe]123=C4N5C=CN4CCN4C=1N(C=C4)[B](N1C=2N(C=C1)CCN1C=3N(C=C1)[B]5(C)C)(C)C |
| Title of publication | Synthesis of Fully Aliphatic Aziridines with a Macrocyclic Tetracarbene Iron Catalyst |
| Authors of publication | Chandrachud, Preeti P.; Bass, Heather M.; Jenkins, David M. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 1652 |
| a | 34.159 ± 0.003 Å |
| b | 8.1549 ± 0.0007 Å |
| c | 22.564 ± 0.002 Å |
| α | 90° |
| β | 123.356 ± 0.001° |
| γ | 90° |
| Cell volume | 5250.1 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0749 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1643 |
| Weighted residual factors for all reflections included in the refinement | 0.1785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237549 (current) | 2019-11-24 | cif/ Adding structures of 4088405, 4088406 via cif-deposit CGI script. |
4088406.cif |
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Users of the data should acknowledge the original authors of the
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