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Information card for entry 1558491
Preview
| Coordinates | 1558491.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(/c1ccc(cc1)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 | 16.0816 ± 0.0008 Å |
| b | 18.5757 ± 0.001 Å |
| c | 5.1129 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1527.36 ± 0.14 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0724 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0498 |
| Weighted residual factors for all reflections included in the refinement | 0.0542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| 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. |
1558491.cif |
| 257156 | 2020-10-04 | cif/ Updating files of 1558491, 1558492 Original log message: Adding full bibliography for 1558491--1558492.cif. |
1558491.cif |
| 253701 | 2020-07-04 | cif/ Adding structures of 1558491 via cif-deposit CGI script. |
1558491.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.