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Information card for entry 7227710
Preview
| Coordinates | 7227710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H12 N4 O |
|---|---|
| Calculated formula | C19 H12 N4 O |
| SMILES | O(c1c(cc2c3c(n(c2c1)C)cccc3)C(=C(C#N)C#N)C#N)C |
| Title of publication | Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials. |
| Authors of publication | Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 9 |
| Pages of publication | 6721 - 6730 |
| a | 6.8946 ± 0.0009 Å |
| b | 16.799 ± 0.002 Å |
| c | 13.329 ± 0.002 Å |
| α | 90° |
| β | 93.493 ± 0.006° |
| γ | 90° |
| Cell volume | 1540.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1112 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227710.cif |
| 193918 | 2017-03-05 | cif/ Updating files of 7227709, 7227710 Original log message: Adding full bibliography for 7227709--7227710.cif. |
7227710.cif |
| 192268 | 2017-02-18 | cif/ Adding structures of 7227709, 7227710 via cif-deposit CGI script. |
7227710.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.