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Information card for entry 7250106
Preview
| Coordinates | 7250106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H8 N10 O |
|---|---|
| Calculated formula | C3 H8 N10 O |
| 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 | 6.5314 ± 0.0004 Å |
| b | 25.0039 ± 0.0017 Å |
| c | 9.2895 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1517.07 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.0743 |
| Weighted residual factors for significantly intense reflections | 0.1669 |
| Weighted residual factors for all reflections included in the refinement | 0.172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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. |
7250106.cif |
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Users of the data should acknowledge the original authors of the
structural data.