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Information card for entry 7238896
Preview
| Coordinates | 7238896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H14 F N5 O6 |
|---|---|
| Calculated formula | C22 H14 F N5 O6 |
| Title of publication | An improved iron-mediated synthesis of N-2-aryl substituted 1,2,3-triazoles |
| Authors of publication | Kamal, Ahmed; Swapna, Ponnampalli |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 20 |
| Pages of publication | 7419 |
| a | 7.2369 ± 0.0007 Å |
| b | 12.2218 ± 0.0012 Å |
| c | 13.4418 ± 0.0013 Å |
| α | 116.25 ± 0.01° |
| β | 100.287 ± 0.008° |
| γ | 95.328 ± 0.008° |
| Cell volume | 1029.1 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0937 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.924 |
| 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. |
7238896.cif |
| 244453 | 2019-11-28 | cif/ Adding structures of 7238896 via cif-deposit CGI script. |
7238896.cif |
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Users of the data should acknowledge the original authors of the
structural data.