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Information card for entry 7054488
Preview
| Coordinates | 7054488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H15 Cl N2 |
|---|---|
| Calculated formula | C8 H15 Cl N2 |
| SMILES | c1n(c(c(C)[n+]1C)C)CC.[Cl-] |
| Title of publication | Peralkylated imidazolium carbonate ionic liquids: synthesis using dimethyl carbonate, reactivity and structure |
| Authors of publication | Maton, C.; Van Hecke, K.; Stevens, C. V. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 1 |
| Pages of publication | 461 |
| a | 6.77997 ± 0.00017 Å |
| b | 14.4971 ± 0.0004 Å |
| c | 9.8785 ± 0.0003 Å |
| α | 90° |
| β | 100.572 ± 0.003° |
| γ | 90° |
| Cell volume | 954.47 ± 0.05 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7054488.cif |
| 180098 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/44. |
7054488.cif |
| 131110 | 2015-02-04 | cif/ Updating files of 7054487, 7054488, 7054489 Original log message: Adding full bibliography for 7054487--7054489.cif. |
7054488.cif |
| 125487 | 2014-10-17 | cif/ Adding structures of 7054487, 7054488, 7054489 via cif-deposit CGI script. |
7054488.cif |
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Users of the data should acknowledge the original authors of the
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