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Information card for entry 7708145
Preview
| Coordinates | 7708145.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H12 N14 O6 |
|---|---|
| Calculated formula | C6 H12 N14 O6 |
| Title of publication | Energetic isomers of bridged oxadiazole nitramines: the effect of asymmetric heterocyclics on stability and energetic properties |
| Authors of publication | Liao, Sicheng; Liu, Tianlin; Zhou, Zhiyu; Wang, Kangcai; Song, Siwei; Zhang, Qinghua |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 5.8001 ± 0.0016 Å |
| b | 18.03 ± 0.005 Å |
| c | 7.0255 ± 0.0019 Å |
| α | 90° |
| β | 92.537 ± 0.009° |
| γ | 90° |
| Cell volume | 734 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.1223 |
| Residual factor for significantly intense reflections | 0.0712 |
| Weighted residual factors for significantly intense reflections | 0.1777 |
| Weighted residual factors for all reflections included in the refinement | 0.2123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268271 (current) | 2021-08-28 | cif/ Adding structures of 7708144, 7708145, 7708146 via cif-deposit CGI script. |
7708145.cif |
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