Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1545025
Preview
| Coordinates | 1545025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3,11-di(10H-phenothiazin-10-yl)dibenzo[a,j]phenazine |
|---|---|
| Formula | C45 H26 Cl N4 S2 |
| Calculated formula | C45 H26 Cl N4 S2 |
| Title of publication | Thermally activated delayed fluorescent phenothiazine‒dibenzo[a,j]phenazine‒phenothiazine triads exhibiting tricolor-changing mechanochromic luminescence |
| Authors of publication | Okazaki, Masato; Takeda, Youhei; Data, Przemyslaw; Pander, Piotr; Higginbotham, Heather; Monkman, Andrew P.; Minakata, Satoshi |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 2677 |
| a | 30.0933 ± 0.0006 Å |
| b | 8.439 ± 0.00015 Å |
| c | 26.6268 ± 0.0005 Å |
| α | 90° |
| β | 95.566 ± 0.0007° |
| γ | 90° |
| Cell volume | 6730.2 ± 0.2 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.4004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.473 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194991 (current) | 2017-04-05 | cif/ Updating files of 1545025 Original log message: Adding full bibliography for 1545025.cif. |
1545025.cif |
| 190426 | 2017-01-12 | cif/ Adding structures of 1545025 via cif-deposit CGI script. |
1545025.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.