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Information card for entry 7250105
Preview
| Coordinates | 7250105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H6 N8 O2 |
|---|---|
| Calculated formula | C3 H6 N8 O2 |
| Title of publication | Constructing energetic hydroxytetrazole with high thermal stability by connecting aminotriazole onto 1-hydroxytetrazole |
| Authors of publication | Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 3.8698 ± 0.0002 Å |
| b | 8.331 ± 0.0005 Å |
| c | 11.6487 ± 0.0008 Å |
| α | 90° |
| β | 95.015 ± 0.002° |
| γ | 90° |
| Cell volume | 374.11 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298426 (current) | 2025-03-14 | cif/ Adding structures of 7250102, 7250103, 7250104, 7250105, 7250106, 7250107 via cif-deposit CGI script. |
7250105.cif |
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Users of the data should acknowledge the original authors of the
structural data.