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Information card for entry 7160445
Preview
| Coordinates | 7160445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H10 N4 |
|---|---|
| Calculated formula | C9 H10 N4 |
| Title of publication | Biocompatible Silicomolybdic Acid Promoted One-Pot Expeditious Synthesis of 1,2,3-NH-Triazoles |
| Authors of publication | Ansari, Danish; Jaiswal, Manoj Kumar; Yadav, Mangal S.; Pandey, Vinay Kumar; Singh, Mayank; Tiwari, Vinod K. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 4.987 ± 0.0001 Å |
| b | 9.0189 ± 0.0002 Å |
| c | 19.7788 ± 0.0004 Å |
| α | 90° |
| β | 93.055 ± 0.002° |
| γ | 90° |
| Cell volume | 888.33 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.096 |
| Residual factor for significantly intense reflections | 0.0897 |
| Weighted residual factors for significantly intense reflections | 0.2608 |
| Weighted residual factors for all reflections included in the refinement | 0.2646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| 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 |
|---|---|---|---|
| 298570 (current) | 2025-03-25 | cif/ Adding structures of 7160445 via cif-deposit CGI script. |
7160445.cif |
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Users of the data should acknowledge the original authors of the
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