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Information card for entry 7250814
Preview
| Coordinates | 7250814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H9 F N4 O2 |
|---|---|
| Calculated formula | C12 H9 F N4 O2 |
| Title of publication | A PASE synthesis of tetrazoloquinolines and its applications in the syntheses of bioactive compounds |
| Authors of publication | Zhang, Xiaofeng; Nallapati, Sashirekha; Johnson, Shea; Chen, Xian; Lim, Jongwon |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| a | 4.6263 ± 0.0001 Å |
| b | 12.8003 ± 0.0004 Å |
| c | 20.056 ± 0.0004 Å |
| α | 104.633 ± 0.002° |
| β | 95.726 ± 0.002° |
| γ | 94.206 ± 0.002° |
| Cell volume | 1137.41 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301902 (current) | 2025-08-27 | cif/ Adding structures of 7250813, 7250814 via cif-deposit CGI script. |
7250814.cif |
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Users of the data should acknowledge the original authors of the
structural data.