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Information card for entry 7122037
Preview
| Coordinates | 7122037.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H17 N Se |
|---|---|
| Calculated formula | C24 H17 N Se |
| Title of publication | Chalcogen atom modulated persistent room-temperature phosphorescence through intramolecular electronic coupling. |
| Authors of publication | Xu, Letian; Li, Guoping; Xu, Tao; Zhang, Weidong; Zhang, Sikun; Yin, Shiwei; An, Zhongfu; He, Gang |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 66 |
| Pages of publication | 9226 - 9229 |
| a | 14.9778 ± 0.0005 Å |
| b | 16.6273 ± 0.0006 Å |
| c | 7.5305 ± 0.0002 Å |
| α | 90° |
| β | 99.679 ± 0.001° |
| γ | 90° |
| Cell volume | 1848.7 ± 0.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.031 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0703 |
| Weighted residual factors for all reflections included in the refinement | 0.0729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122037.cif |
| 228333 | 2019-11-17 | cif/ Updating files of 7122035, 7122036, 7122037 Original log message: Adding full bibliography for 7122035--7122037.cif. |
7122037.cif |
| 209243 | 2018-07-25 | cif/ Adding structures of 7122035, 7122036, 7122037 via cif-deposit CGI script. |
7122037.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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Users of the data should acknowledge the original authors of the
structural data.