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Information card for entry 4514602
Preview
| Coordinates | 4514602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H28 F12 N4 P2 |
|---|---|
| Calculated formula | C36 H28 F12 N4 P2 |
| Title of publication | Aggregation-Induced Emission Luminogens with the Capability of Wide Color Tuning, Mitochondrial and Bacterial Imaging, and Photodynamic Anticancer and Antibacterial Therapy. |
| Authors of publication | Zhao, Na; Li, Pengfei; Zhuang, Jiabao; Liu, Yanyan; Xiao, Yuxin; Qin, Ruilin; Li, Nan |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2019 |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 11227 - 11237 |
| a | 6.504 ± 0.0005 Å |
| b | 7.4221 ± 0.0007 Å |
| c | 19.2502 ± 0.0017 Å |
| α | 86.056 ± 0.002° |
| β | 80.656 ± 0.002° |
| γ | 73.71 ± 0.001° |
| Cell volume | 879.86 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.133 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.2112 |
| Weighted residual factors for all reflections included in the refinement | 0.2334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514602.cif |
| 219787 | 2019-10-28 | cif/ Adding structures of 4514602 via cif-deposit CGI script. |
4514602.cif |
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Users of the data should acknowledge the original authors of the
structural data.