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Information card for entry 7157330
Preview
| Coordinates | 7157330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H10 N4 O2 |
|---|---|
| Calculated formula | C11 H10 N4 O2 |
| Title of publication | π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps. |
| Authors of publication | Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 8 |
| Pages of publication | 1657 - 1670 |
| a | 7.345 ± 0.005 Å |
| b | 7.435 ± 0.006 Å |
| c | 11.625 ± 0.009 Å |
| α | 74.87 ± 0.03° |
| β | 89.96 ± 0.03° |
| γ | 65.91 ± 0.03° |
| Cell volume | 555.4 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1495 |
| Residual factor for significantly intense reflections | 0.093 |
| Weighted residual factors for significantly intense reflections | 0.2128 |
| Weighted residual factors for all reflections included in the refinement | 0.2433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157330.cif |
| 249022 | 2020-03-05 | cif/ Updating files of 7157330, 7157331, 7157332, 7157333 Original log message: Adding full bibliography for 7157330--7157333.cif. |
7157330.cif |
| 247538 | 2020-02-04 | cif/ Adding structures of 7157330, 7157331, 7157332, 7157333 via cif-deposit CGI script. |
7157330.cif |
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Users of the data should acknowledge the original authors of the
structural data.