Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1571564
Preview
| Coordinates | 1571564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H56 Cl10 N2 O4 S2 |
|---|---|
| Calculated formula | C86 H56 Cl10 N2 O4 S2 |
| Title of publication | A nine-ring fused terrylene diimide exhibits switching between red TADF and near-IR room temperature phosphorescence. |
| Authors of publication | Jha, Shivangee; Mehra, Kundan Singh; Dey, Mandira; S, Sujesh; Ghosh, Debashree; Mondal, Pradip Kumar; Polentarutti, Maurizio; Sankar, Jeyaraman |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 23 |
| Pages of publication | 8974 - 8981 |
| a | 16.8 ± 0.003 Å |
| b | 18.2 ± 0.004 Å |
| c | 18.9 ± 0.004 Å |
| α | 110 ± 0.03° |
| β | 101 ± 0.03° |
| γ | 106 ± 0.03° |
| Cell volume | 4953 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2818 |
| Residual factor for significantly intense reflections | 0.1993 |
| Weighted residual factors for significantly intense reflections | 0.5119 |
| Weighted residual factors for all reflections included in the refinement | 0.5644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.514 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292923 (current) | 2024-07-05 | cif/ Updating files of 1571564 Original log message: Adding full bibliography for 1571564.cif. |
1571564.cif |
| 291740 | 2024-05-07 | cif/ Adding structures of 1571564 via cif-deposit CGI script. |
1571564.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.