Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7122036
Preview
| Coordinates | 7122036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H17 N S |
|---|---|
| Calculated formula | C24 H17 N S |
| 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 | 14.7755 ± 0.0006 Å |
| b | 16.6199 ± 0.0006 Å |
| c | 7.5149 ± 0.0003 Å |
| α | 90° |
| β | 100.035 ± 0.001° |
| γ | 90° |
| Cell volume | 1817.18 ± 0.12 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| 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. |
7122036.cif |
| 228333 | 2019-11-17 | cif/ Updating files of 7122035, 7122036, 7122037 Original log message: Adding full bibliography for 7122035--7122037.cif. |
7122036.cif |
| 209243 | 2018-07-25 | cif/ Adding structures of 7122035, 7122036, 7122037 via cif-deposit CGI script. |
7122036.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.