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Information card for entry 4517564
Preview
| Coordinates | 4517564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H24 N2 S |
|---|---|
| Calculated formula | C36 H24 N2 S |
| Title of publication | Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy. |
| Authors of publication | Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 28.278 ± 0.007 Å |
| b | 5.5097 ± 0.0013 Å |
| c | 20.597 ± 0.005 Å |
| α | 90° |
| β | 127.417 ± 0.006° |
| γ | 90° |
| Cell volume | 2548.8 ± 1.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0428 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4517564.cif |
| 250684 | 2020-04-14 | cif/ Adding structures of 4517564 via cif-deposit CGI script. |
4517564.cif |
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Users of the data should acknowledge the original authors of the
structural data.