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Information card for entry 7120325
Preview
| Coordinates | 7120325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H28 N4 O4 |
|---|---|
| Calculated formula | C29 H28 N4 O4 |
| SMILES | c1cccc(c2cc(cc(c3ccccn3)n2)c2ccc(cc2)N(CC(=O)OCC)CC(=O)OCC)n1 |
| Title of publication | Halides Tuning Subcellular-Targeting in Two-Photon Emissive Complexes via Different Uptake Mechanisms |
| Authors of publication | Tian, Xiaohe; Zhu, Yingzhong; Zhang, Qiong; Zhang, Ruilong; Wu, Jieying; Tian, Yupeng |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 11.3361 ± 0.0013 Å |
| b | 48.595 ± 0.006 Å |
| c | 9.4566 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5209.4 ± 1.1 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.154 |
| Weighted residual factors for all reflections included in the refinement | 0.1723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198100 (current) | 2017-06-23 | cif/ Adding structures of 7120323, 7120324, 7120325, 7120326 via cif-deposit CGI script. |
7120325.cif |
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Users of the data should acknowledge the original authors of the
structural data.