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Information card for entry 7237920
Preview
| Coordinates | 7237920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H28 Cl6 N4 S |
|---|---|
| Calculated formula | C48 H28 Cl6 N4 S |
| Title of publication | Design, synthesis and amplified spontaneous emission of 1,2,5-benzothiadiazole derivatives |
| Authors of publication | Martín, Raúl; Prieto, Pilar; Carrillo, José R.; Rodríguez, Ana M.; de Cozar, Abel; Boj, Pedro G.; Díaz-García, María A.; Ramírez, Manuel G. |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 32 |
| Pages of publication | 9996 |
| a | 11.8955 ± 0.0016 Å |
| b | 17.813 ± 0.002 Å |
| c | 20.278 ± 0.003 Å |
| α | 90° |
| β | 95.537 ± 0.003° |
| γ | 90° |
| Cell volume | 4276.7 ± 1 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.2317 |
| Residual factor for significantly intense reflections | 0.0898 |
| Weighted residual factors for significantly intense reflections | 0.2264 |
| Weighted residual factors for all reflections included in the refinement | 0.2921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| 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. |
7237920.cif |
| 238748 | 2019-11-24 | cif/ Adding structures of 7237919, 7237920 via cif-deposit CGI script. |
7237920.cif |
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Users of the data should acknowledge the original authors of the
structural data.