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Information card for entry 4517504
Preview
| Coordinates | 4517504.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H22 Au F3 N3 O5 P S |
|---|---|
| Calculated formula | C24 H22 Au F3 N3 O5 P S |
| SMILES | [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cc(ncc1)C(=O)N.FC(F)(S(=O)(=O)[O-])F.O |
| Title of publication | Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety |
| Authors of publication | Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K. |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 12 |
| Pages of publication | 6826 - 6833 |
| a | 7.0334 ± 0.001 Å |
| b | 12.6524 ± 0.0016 Å |
| c | 15.688 ± 0.002 Å |
| α | 79.435 ± 0.004° |
| β | 81.214 ± 0.005° |
| γ | 89.464 ± 0.004° |
| Cell volume | 1356 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4517504.cif |
| 257078 | 2020-10-04 | cif/ Updating files of 4517503, 4517504, 4517505 Original log message: Adding full bibliography for 4517503--4517505.cif. |
4517504.cif |
| 250047 | 2020-04-04 | cif/ Updating files of 4517503, 4517504, 4517505 Original log message: Adding full bibliography for 4517503--4517505.cif. |
4517504.cif |
| 249528 | 2020-03-20 | cif/ Adding structures of 4517503, 4517504, 4517505 via cif-deposit CGI script. |
4517504.cif |
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Users of the data should acknowledge the original authors of the
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