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Information card for entry 7234543
Preview
| Coordinates | 7234543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H12 N4 |
|---|---|
| Calculated formula | C15 H12 N4 |
| SMILES | n1ccc(N(c2ccncc2)c2ccncc2)cc1 |
| Title of publication | Effect of intercalation and chromophore arrangement on the linear and nonlinear optical properties of model aminopyridine push-pull molecules |
| Authors of publication | Filip Bures; Daniel Cvejn; Klara Melanova; Ludvik Benes; Jan Svoboda; Vitezslav Zima; Oldrich Pytela; Tomas Mikysek; Zdenka Ruzickova; I. V. Kityk; Artur Wojciechowski; Nasser AlZayed |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 468 - 478 |
| a | 8.708 ± 0.0004 Å |
| b | 15.9311 ± 0.0009 Å |
| c | 9.559 ± 0.0006 Å |
| α | 90° |
| β | 111.714 ± 0.004° |
| γ | 90° |
| Cell volume | 1232 ± 0.12 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.1038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234543.cif |
| 219280 | 2019-10-11 | cif/ Adding structures of 7234543 via cif-deposit CGI script. |
7234543.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.