Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250675
Preview
| Coordinates | 7250675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H70 N12 O2 |
|---|---|
| Calculated formula | C96 H70 N12 O2 |
| Title of publication | Thermally Activated Delayed Fluorescence in Aminoacene-linked Phenanthroline |
| Authors of publication | Swathi Krishna, P. E.; Baiju, Hanock; Hariharan, Mahesh |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2025 |
| a | 21.342 ± 0.004 Å |
| b | 16.508 ± 0.003 Å |
| c | 22.533 ± 0.005 Å |
| α | 90 ± 0.03° |
| β | 104.29 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 7693 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2627 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.2051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301230 (current) | 2025-07-11 | cif/ Adding structures of 7250674, 7250675 via cif-deposit CGI script. |
7250675.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.