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Information card for entry 7228619
Preview
| Coordinates | 7228619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H11 N7 O5 |
|---|---|
| Calculated formula | C8 H11 N7 O5 |
| SMILES | n1nc([n-]c1N(=O)=O)N(=O)=O.n1(c[n+](cc1)C)CCO |
| 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 | 6.7821 ± 0.0004 Å |
| b | 9.5516 ± 0.0006 Å |
| c | 10.388 ± 0.0005 Å |
| α | 94.882 ± 0.004° |
| β | 96.973 ± 0.004° |
| γ | 110.449 ± 0.005° |
| Cell volume | 619.95 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.0429 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.113 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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 |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7228619.cif |
| 198309 | 2017-07-01 | cif/ Adding structures of 7228617, 7228618, 7228619 via cif-deposit CGI script. |
7228619.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.