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Information card for entry 1547843
Preview
| Coordinates | 1547843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H22 F2 N2 O2 |
|---|---|
| Calculated formula | C26 H22 F2 N2 O2 |
| SMILES | Fc1c(c2cc(/C=C/c3cc4c(oc3=O)cc(N(CC)CC)cc4)ccn2)ccc(F)c1 |
| Title of publication | Achieving efficient photodynamic therapy under both normoxia and hypoxia using cyclometalated Ru(ii) photosensitizer through type I photochemical process. |
| Authors of publication | Lv, Zhuang; Wei, Huanjie; Li, Qing; Su, Xianlong; Liu, Shujuan; Zhang, Kenneth Yin; Lv, Wen; Zhao, Qiang; Li, Xianghong; Huang, Wei |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 502 - 512 |
| a | 8.3521 ± 0.0017 Å |
| b | 12.418 ± 0.002 Å |
| c | 20.681 ± 0.004 Å |
| α | 90° |
| β | 97.923 ± 0.004° |
| γ | 90° |
| Cell volume | 2124.5 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.115 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547843.cif |
| 228723 | 2019-11-17 | cif/ Updating files of 1547843 Original log message: Adding full bibliography for 1547843.cif. |
1547843.cif |
| 202455 | 2017-11-01 | cif/ Adding structures of 1547843 via cif-deposit CGI script. |
1547843.cif |
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Users of the data should acknowledge the original authors of the
structural data.