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Information card for entry 8000485
Preview
| Coordinates | 8000485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H19 N O |
|---|---|
| Calculated formula | C25 H19 N O |
| SMILES | O(c1ccc(c2ccc(n3c4c(c5c3cccc5)cccc4)cc2)cc1)C |
| Title of publication | Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation. |
| Authors of publication | Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 12 |
| Pages of publication | 3099 - 3105 |
| a | 9.43162 ± 0.00016 Å |
| b | 11.06107 ± 0.00018 Å |
| c | 17.6072 ± 0.0003 Å |
| α | 90° |
| β | 94.7508 ± 0.0016° |
| γ | 90° |
| Cell volume | 1830.54 ± 0.05 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0543 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1208 |
| Weighted residual factors for all reflections included in the refinement | 0.1296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8000485.cif |
| 263605 | 2021-04-04 | cif/ Updating files of 8000485, 8000486, 8000487, 8000488, 8000489, 8000490 Original log message: Adding full bibliography for 8000485--8000490.cif. |
8000485.cif |
| 263266 | 2021-03-24 | cif/ Adding structures of 8000485 via cif-deposit CGI script. |
8000485.cif |
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Users of the data should acknowledge the original authors of the
structural data.