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Information card for entry 1552229
Preview
| Coordinates | 1552229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 Cl2 Cu N3 S |
|---|---|
| Calculated formula | C20 H23 Cl2 Cu N3 S |
| SMILES | c12[n](c3ccccc3cc2)[Cu]2([N](C1)(Cc1[n]2cccc1)CCSCC)(Cl)Cl |
| 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 | 9.1168 ± 0.0014 Å |
| b | 13.355 ± 0.003 Å |
| c | 16.904 ± 0.003 Å |
| α | 90° |
| β | 97.889 ± 0.005° |
| γ | 90° |
| Cell volume | 2038.7 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.105 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1404 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| 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. |
1552229.cif |
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