Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558492
Preview
| Coordinates | 1558492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H14 N4 |
|---|---|
| Calculated formula | C19 H14 N4 |
| SMILES | c1(ccccc1)N1N=C(CC1)/C=C(c1c(cccc1)C#N)\C#N |
| Title of publication | Lasing Properties Activation by Constitutional Isomerism of an Electron-Accepting Group |
| Authors of publication | Szukalski, Adam; Haupa, Karolina A.; Janczak, Jan; Przybył, Bartosz; Sznitko, Lech; Myśliwiec, Jarosław |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2020 |
| Journal volume | 124 |
| Journal issue | 25 |
| Pages of publication | 13845 - 13857 |
| a | 27.9461 ± 0.0011 Å |
| b | 8.4289 ± 0.0003 Å |
| c | 13.7881 ± 0.0006 Å |
| α | 90° |
| β | 105.092 ± 0.004° |
| γ | 90° |
| Cell volume | 3135.8 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0862 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1558492.cif |
| 257156 | 2020-10-04 | cif/ Updating files of 1558491, 1558492 Original log message: Adding full bibliography for 1558491--1558492.cif. |
1558492.cif |
| 253702 | 2020-07-04 | cif/ Adding structures of 1558492 via cif-deposit CGI script. |
1558492.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.