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Information card for entry 7132050
Preview
| Coordinates | 7132050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | dimethylgallium oxolinate |
|---|---|
| Formula | C15 H16 Ga N O5 |
| Calculated formula | C15 H16 Ga N O5 |
| SMILES | [Ga]1([O]=C2c3cc4OCOc4cc3N(CC)C=C2C(=O)O1)(C)C |
| Title of publication | Gallium reactivates 1st and 2nd generation quinolone antibiotics towards drug-resistantKlebsiella pneumoniae |
| Authors of publication | Sultana, Tania; Duffin, Rebekah. N.; Blair, Victoria L.; Andrews, Philip Craig |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 18.0209 ± 0.0006 Å |
| b | 13.5163 ± 0.0006 Å |
| c | 14.3466 ± 0.0006 Å |
| α | 90° |
| β | 121.773 ± 0.002° |
| γ | 90° |
| Cell volume | 2970.8 ± 0.2 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0703 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285851 (current) | 2023-08-24 | cif/ Adding structures of 7132049, 7132050, 7132051, 7132052 via cif-deposit CGI script. |
7132050.cif |
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