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Information card for entry 7155935
Preview
| Coordinates | 7155935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Cu(DPA-Ph)(PyCH2NHCH2Ph)(OTf)](OTf) |
|---|---|
| Formula | C33 H31 Cu F6 N5 O6 S2 |
| Calculated formula | C33 H31 Cu F6 N5 O6 S2 |
| Title of publication | Experimental and mechanistic insights into copper(ii)–dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives |
| Authors of publication | Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 10.0986 ± 0.0012 Å |
| b | 13.5819 ± 0.0014 Å |
| c | 15.2704 ± 0.0016 Å |
| α | 68.475 ± 0.01° |
| β | 72.79 ± 0.01° |
| γ | 73.322 ± 0.01° |
| Cell volume | 1823.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1586 |
| Residual factor for significantly intense reflections | 0.1146 |
| Weighted residual factors for significantly intense reflections | 0.3084 |
| Weighted residual factors for all reflections included in the refinement | 0.322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155935.cif |
| 202265 | 2017-10-24 | cif/ Adding structures of 7155934, 7155935, 7155936, 7155937, 7155938 via cif-deposit CGI script. |
7155935.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.