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Information card for entry 7236401
Preview
| Coordinates | 7236401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H7 N5 O2 |
|---|---|
| Calculated formula | C8 H7 N5 O2 |
| Title of publication | Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies |
| Authors of publication | Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 16 |
| Pages of publication | 7366 |
| a | 8.162 ± 0.007 Å |
| b | 12.424 ± 0.011 Å |
| c | 9.201 ± 0.008 Å |
| α | 90° |
| β | 104.868 ± 0.014° |
| γ | 90° |
| Cell volume | 901.8 ± 1.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0714 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236401.cif |
| 235480 | 2019-11-23 | cif/ Adding structures of 7236397, 7236398, 7236399, 7236400, 7236401, 7236402, 7236403, 7236404, 7236405, 7236406 via cif-deposit CGI script. |
7236401.cif |
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Users of the data should acknowledge the original authors of the
structural data.