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Information card for entry 7228087
Preview
| Coordinates | 7228087.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H14 N6 |
|---|---|
| Calculated formula | C10 H14 N6 |
| SMILES | N12CC[N+](CC#N)(CC1)CC2.C(#N)[N-]C#N |
| Title of publication | Bicyclic ammonium ionic liquids as dense hypergolic fuels |
| Authors of publication | Yuan, Yutao; Zhang, Yanqiang; Liu, Long; Jiao, Nianming; Dong, Kun; Zhang, Suojiang |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 35 |
| Pages of publication | 21592 |
| a | 7.0888 ± 0.0014 Å |
| b | 14.392 ± 0.003 Å |
| c | 10.586 ± 0.002 Å |
| α | 90° |
| β | 97.4 ± 0.03° |
| γ | 90° |
| Cell volume | 1071 ± 0.4 Å3 |
| Cell temperature | 153.15 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 3 |
| 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 | 0.067 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1276 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.211 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7228087.cif |
| 195539 | 2017-04-19 | cif/ Adding structures of 7228087 via cif-deposit CGI script. |
7228087.cif |
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Users of the data should acknowledge the original authors of the
structural data.