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Information card for entry 4515601
Preview
| Coordinates | 4515601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H12 Fe N11 O |
|---|---|
| Calculated formula | C10 H12 Fe N11 O |
| Title of publication | Iron-Catalyzed Direct Olefin Diazidation via Peroxyester Activation Promoted by Nitrogen-Based Ligands. |
| Authors of publication | Shen, Shou-Jie; Zhu, Cheng-Liang; Lu, Deng-Fu; Xu, Hao |
| Journal of publication | ACS catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 5 |
| Pages of publication | 4473 - 4482 |
| a | 10.82 ± 0.007 Å |
| b | 12.675 ± 0.007 Å |
| c | 11.662 ± 0.007 Å |
| α | 90° |
| β | 106.559 ± 0.018° |
| γ | 90° |
| Cell volume | 1533 ± 1.6 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 | 0.1335 |
| Residual factor for significantly intense reflections | 0.0919 |
| Weighted residual factors for significantly intense reflections | 0.2621 |
| Weighted residual factors for all reflections included in the refinement | 0.3029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.794 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225745 (current) | 2019-11-10 | cif/ Adding structures of 4515601 via cif-deposit CGI script. |
4515601.cif |
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Users of the data should acknowledge the original authors of the
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