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Information card for entry 1565500
Preview
| Coordinates | 1565500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 F3 N3 O2 S |
|---|---|
| Calculated formula | C15 H10 F3 N3 O2 S |
| SMILES | s1cccc1c1oc(nn1)C(=O)NCc1ccc(cc1)C(F)(F)F |
| Title of publication | Design, Synthesis, and Antifungal Activity of Novel Thiophene/Furan-1,3,4-Oxadiazole Carboxamides as Potent Succinate Dehydrogenase Inhibitors. |
| Authors of publication | Yang, Zihui; Sun, Yue; Liu, Qingsong; Li, Aliang; Wang, Wenyan; Gu, Wen |
| Journal of publication | Journal of agricultural and food chemistry |
| Year of publication | 2021 |
| Journal volume | 69 |
| Journal issue | 45 |
| Pages of publication | 13373 - 13385 |
| a | 5.6003 ± 0.0001 Å |
| b | 10.154 ± 0.0003 Å |
| c | 13.8448 ± 0.0003 Å |
| α | 105.521 ± 0.002° |
| β | 92.92 ± 0.002° |
| γ | 102.47 ± 0.002° |
| Cell volume | 735.72 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1589 |
| Weighted residual factors for all reflections included in the refinement | 0.1596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271075 (current) | 2021-12-04 | cif/ Adding structures of 1565500 via cif-deposit CGI script. |
1565500.cif |
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Users of the data should acknowledge the original authors of the
structural data.