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Information card for entry 7229208
Preview
| Coordinates | 7229208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H17 N O3 |
|---|---|
| Calculated formula | C7 H17 N O3 |
| SMILES | OCC[N+](C)(C)C.[O-]C(=O)C |
| Title of publication | Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions |
| Authors of publication | Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D. |
| Journal of publication | Phys. Chem. Chem. Phys. |
| Year of publication | 2017 |
| a | 7.7116 ± 0.0004 Å |
| b | 7.1277 ± 0.0004 Å |
| c | 8.4076 ± 0.0005 Å |
| α | 90° |
| β | 102.612 ± 0.002° |
| γ | 90° |
| Cell volume | 450.98 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201022 (current) | 2017-09-19 | cif/ Adding structures of 7229205, 7229206, 7229207, 7229208, 7229209 via cif-deposit CGI script. |
7229208.cif |
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Users of the data should acknowledge the original authors of the
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