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Information card for entry 7246152
Preview
| Coordinates | 7246152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 Cl2 F4 N10 |
|---|---|
| Calculated formula | C10 H8 Cl2 F4 N10 |
| Title of publication | Synthesis and characterization of potential polycyclic energetic materials using bicyclic triazole and azetidine structures as building blocks |
| Authors of publication | Yang, Xin-bo; Jia, Chen-hui; Miao, Xiang-yan; Li, Yu-chuan; Pang, Si-ping |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 4 |
| Pages of publication | 2600 - 2610 |
| a | 10.95 ± 0.002 Å |
| b | 7.2595 ± 0.0015 Å |
| c | 9.637 ± 0.0019 Å |
| α | 90° |
| β | 97.03 ± 0.03° |
| γ | 90° |
| Cell volume | 760.3 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0491 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280415 (current) | 2023-01-18 | cif/ Adding structures of 7246152, 7246153, 7246154 via cif-deposit CGI script. |
7246152.cif |
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Users of the data should acknowledge the original authors of the
structural data.