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Information card for entry 7241679
Preview
| Coordinates | 7241679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H10 Cl N O4 |
|---|---|
| Calculated formula | C11 H10 Cl N O4 |
| SMILES | Cl(=O)(=O)(=O)[O-].[nH+]1ccc(c2ccccc2)cc1 |
| Title of publication | Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect |
| Authors of publication | Leduskrasts, Kaspars; Suna, Edgars |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 62 |
| Pages of publication | 38107 - 38113 |
| a | 6.8571 ± 0.0001 Å |
| b | 18.2247 ± 0.0002 Å |
| c | 9.2749 ± 0.0001 Å |
| α | 90° |
| β | 109.383 ± 0.002° |
| γ | 90° |
| Cell volume | 1093.38 ± 0.03 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0442 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0242 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241679.cif |
| 259587 | 2020-12-06 | cif/ Adding structures of 7241675, 7241676, 7241677, 7241678, 7241679, 7241680 via cif-deposit CGI script. |
7241679.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.