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Information card for entry 7159920
Preview
| Coordinates | 7159920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 N4 |
|---|---|
| Calculated formula | C18 H16 N4 |
| Title of publication | Structure and isomerization behavior relationships of new push–pull azo-pyrrole photoswitches |
| Authors of publication | Gallardo-Rosas, David; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Toscano, Ruben Alfredo; López-Cortés, Jose G.; Ortega-Alfaro, M. Carmen |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 11.0543 ± 0.0016 Å |
| b | 7.6061 ± 0.0011 Å |
| c | 18.348 ± 0.003 Å |
| α | 90° |
| β | 97.582 ± 0.003° |
| γ | 90° |
| Cell volume | 1529.2 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1416 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| Weighted residual factors for all reflections included in the refinement | 0.1567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291425 (current) | 2024-05-01 | cif/ Adding structures of 7159920 via cif-deposit CGI script. |
7159920.cif |
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Users of the data should acknowledge the original authors of the
structural data.