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Information card for entry 7228617
Preview
| Coordinates | 7228617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 N5 O8 |
|---|---|
| Calculated formula | C12 H13 N5 O8 |
| SMILES | [O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.OCCn1c[n+](cc1)C |
| Title of publication | Synthesis, structure and properties of imidazolium-based energetic ionic liquids |
| Authors of publication | Yang, Haijun; Liu, Yuejia; Ning, Hongli; Lei, Jianlei; Hu, Gang |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 53 |
| Pages of publication | 33231 |
| a | 14.1861 ± 0.0004 Å |
| b | 7.38696 ± 0.00018 Å |
| c | 15.4711 ± 0.0004 Å |
| α | 90° |
| β | 110.333 ± 0.003° |
| γ | 90° |
| Cell volume | 1520.23 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198309 (current) | 2017-07-01 | cif/ Adding structures of 7228617, 7228618, 7228619 via cif-deposit CGI script. |
7228617.cif |
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Users of the data should acknowledge the original authors of the
structural data.