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Information card for entry 7122035
Preview
| Coordinates | 7122035.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H17 N O |
|---|---|
| Calculated formula | C24 H17 N O |
| 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 | 16.0364 ± 0.0004 Å |
| b | 7.5753 ± 0.0002 Å |
| c | 16.754 ± 0.0004 Å |
| α | 90° |
| β | 117.214 ± 0.001° |
| γ | 90° |
| Cell volume | 1809.99 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0563 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.137 |
| Weighted residual factors for all reflections included in the refinement | 0.1523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7122035.cif |
| 228333 | 2019-11-17 | cif/ Updating files of 7122035, 7122036, 7122037 Original log message: Adding full bibliography for 7122035--7122037.cif. |
7122035.cif |
| 209243 | 2018-07-25 | cif/ Adding structures of 7122035, 7122036, 7122037 via cif-deposit CGI script. |
7122035.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.