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Information card for entry 7122774
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| Coordinates | 7122774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H35 N O |
|---|---|
| Calculated formula | C23 H35 N O |
| Title of publication | Dioxygen Activation with Stable N-Heterocyclic Carbenes |
| Authors of publication | Tang, Jinghua; Gao, Xuejiao J.; Tang, Huarong; Zeng, Xiaoming |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 9.383 ± 0.003 Å |
| b | 20.549 ± 0.007 Å |
| c | 11.175 ± 0.004 Å |
| α | 90° |
| β | 95.08 ± 0.02° |
| γ | 90° |
| Cell volume | 2146.2 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0857 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.197 |
| Weighted residual factors for all reflections included in the refinement | 0.2156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122774.cif |
| 212898 | 2019-01-11 | cif/ Adding structures of 7122774 via cif-deposit CGI script. |
7122774.cif |
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Users of the data should acknowledge the original authors of the
structural data.