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Information card for entry 7239084
Preview
| Coordinates | 7239084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H20 Br N3 O2 S |
|---|---|
| Calculated formula | C26 H20 Br N3 O2 S |
| Title of publication | New cycloimmonium ylide ligands and their palladium(ii) affinities |
| Authors of publication | Postolachi, Rodica; Danac, Ramona; Buurma, Niklaas J.; Pui, Aurel; Balan, Mihaela; Shova, Sergiu; Deleanu, Calin |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 38 |
| Pages of publication | 17260 |
| a | 16.705 ± 0.002 Å |
| b | 21.458 ± 0.002 Å |
| c | 12.8736 ± 0.0009 Å |
| α | 90° |
| β | 99.698 ± 0.009° |
| γ | 90° |
| Cell volume | 4548.7 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.3011 |
| Residual factor for significantly intense reflections | 0.0868 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.834 |
| Diffraction radiation wavelength | 0.7107 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. |
7239084.cif |
| 244539 | 2019-11-28 | cif/ Adding structures of 7239084 via cif-deposit CGI script. |
7239084.cif |
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Users of the data should acknowledge the original authors of the
structural data.