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Information card for entry 7239013
Preview
| Coordinates | 7239013.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H28 N2 O3 |
|---|---|
| Calculated formula | C13 H28 N2 O3 |
| Title of publication | Hydrophobic vs. hydrophilic ionic liquid separations strategies in support of continuous pharmaceutical manufacturing |
| Authors of publication | Wang, Hui; Gurau, Gabriela; Kelley, Steven P.; Myerson, Allan S.; Rogers, Robin D. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 25 |
| Pages of publication | 10019 |
| a | 12.2603 ± 0.001 Å |
| b | 12.7294 ± 0.0011 Å |
| c | 10.9082 ± 0.0009 Å |
| α | 90° |
| β | 110.413 ± 0.006° |
| γ | 90° |
| Cell volume | 1595.5 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1278 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.1561 |
| Weighted residual factors for all reflections included in the refinement | 0.1907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239013.cif |
| 244506 | 2019-11-28 | cif/ Adding structures of 7239013 via cif-deposit CGI script. |
7239013.cif |
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Users of the data should acknowledge the original authors of the
structural data.