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Information card for entry 7248760
Preview
| Coordinates | 7248760.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H25 Cl F2 N6 O4 |
|---|---|
| Calculated formula | C28 H25 Cl F2 N6 O4 |
| SMILES | Clc1cc(n2nnc(c2)COC(=O)C2C(=O)c3cc(F)c(N4CCN(C(=O)C)CC4)cc3N(C=2)C2CC2)ccc1F |
| Title of publication | Synthesis of ciprofloxacin-linked 1,2,3-triazole conjugates as potent antibacterial agents using click chemistry: exploring their function as DNA gyrase inhibitors via in silico- and in vitro-based studies |
| Authors of publication | Patel, Upendra Kumar; Tiwari, Punit; Tilak, Ragini; Joshi, Gaurav; Kumar, Roshan; Agarwal, Alka |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 24 |
| Pages of publication | 17051 - 17070 |
| a | 22.17 ± 0.0004 Å |
| b | 7.54141 ± 0.00012 Å |
| c | 34.4865 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5765.9 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1532 |
| Weighted residual factors for all reflections included in the refinement | 0.1619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292127 (current) | 2024-05-31 | cif/ Adding structures of 7248760, 7248761 via cif-deposit CGI script. |
7248760.cif |
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Users of the data should acknowledge the original authors of the
structural data.