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Information card for entry 7251237
Preview
| Coordinates | 7251237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H25 N19 O14 |
|---|---|
| Calculated formula | C16 H25 N19 O14 |
| Title of publication | Synthesis of Energetic Materials Derived from Hydroxynitropyrazine |
| Authors of publication | Jiang, Xiue; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 4.8568 ± 0.0002 Å |
| b | 7.9049 ± 0.0003 Å |
| c | 18.9454 ± 0.0009 Å |
| α | 79.632 ± 0.002° |
| β | 87.383 ± 0.002° |
| γ | 77.432 ± 0.001° |
| Cell volume | 698.33 ± 0.05 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0782 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Weighted residual factors for all reflections included in the refinement | 0.1411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303228 (current) | 2025-11-08 | cif/ Adding structures of 7251237, 7251238, 7251239 via cif-deposit CGI script. |
7251237.cif |
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Users of the data should acknowledge the original authors of the
structural data.