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Information card for entry 7064339
Preview
| Coordinates | 7064339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 N4 O6 |
|---|---|
| Calculated formula | C22 H22 N4 O6 |
| Title of publication | Hybrid azine–oxamic acid molecular design: synthesis, structure, and supramolecular implications |
| Authors of publication | Borth, Ketlyn Wolfart; Leal, Letícia dos Santos; Teixeira, Verônica de Carvalho; da Rocha, Grazielli; Simões, Tatiana Renata Gomes |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| Journal volume | 50 |
| Journal issue | 18 |
| Pages of publication | 7619 - 7634 |
| a | 7.4167 ± 0.0002 Å |
| b | 11.8025 ± 0.0003 Å |
| c | 13.2319 ± 0.0004 Å |
| α | 114.554 ± 0.001° |
| β | 92.49 ± 0.001° |
| γ | 96.267 ± 0.001° |
| Cell volume | 1042.16 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.