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Information card for entry 1552228
Preview
| Coordinates | 1552228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H28 Cl2 Cu N2 O3 S |
|---|---|
| Calculated formula | C27 H28 Cl2 Cu N2 O3 S |
| SMILES | c12cc(OCc3[n]4c(ccc3)C[N]3(Cc5ccccc5)CC[S](CC)[Cu]43(Cl)Cl)ccc2ccc(=O)o1 |
| Title of publication | Selective Catecholamine Detection in Living Cells by a Copper-based Oxidative Reactivity |
| Authors of publication | Tong, Ka Yan; Zhao, Jia; Tse, Chun-Wai; Wan, Pui-Ki; Rong, Jianhui; Au-Yeung, Ho Yu |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 9.163 ± 0.003 Å |
| b | 12.719 ± 0.004 Å |
| c | 13.205 ± 0.005 Å |
| α | 65.072 ± 0.009° |
| β | 87.457 ± 0.008° |
| γ | 73.991 ± 0.007° |
| Cell volume | 1336.9 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1812 |
| Residual factor for significantly intense reflections | 0.105 |
| Weighted residual factors for significantly intense reflections | 0.1854 |
| Weighted residual factors for all reflections included in the refinement | 0.2068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217533 (current) | 2019-08-15 | cif/ Adding structures of 1552227, 1552228, 1552229 via cif-deposit CGI script. |
1552228.cif |
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Users of the data should acknowledge the original authors of the
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