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Information card for entry 7250102
Preview
| Coordinates | 7250102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H7 N9 O2 |
|---|---|
| Calculated formula | C3 H7 N9 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 | 25.649 ± 0.005 Å |
| b | 9.0726 ± 0.0016 Å |
| c | 6.769 ± 0.0014 Å |
| α | 90° |
| β | 92.424 ± 0.006° |
| γ | 90° |
| Cell volume | 1573.8 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1017 |
| Residual factor for significantly intense reflections | 0.0887 |
| Weighted residual factors for significantly intense reflections | 0.2414 |
| Weighted residual factors for all reflections included in the refinement | 0.2572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| 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. |
7250102.cif |
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Users of the data should acknowledge the original authors of the
structural data.