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Information card for entry 7708144
Preview
| Coordinates | 7708144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H4 N8 O7 |
|---|---|
| Calculated formula | C4 H4 N8 O7 |
| 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 | 13.6771 ± 0.0011 Å |
| b | 11.9568 ± 0.0011 Å |
| c | 6.1214 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1001.06 ± 0.15 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0704 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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. |
7708144.cif |
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