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Information card for entry 7201526
Preview
| Coordinates | 7201526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1-ethyl-3-methylimidazolium methanesulfanate (18-crown-6) |
|---|---|
| Formula | C26 H52 N4 O12 S2 |
| Calculated formula | C26 H52 N4 O12 S2 |
| SMILES | S(=O)(=O)(C)[O-].c1n(cc[n+]1C)CC.O1CCOCCOCCOCCOCCOCC1.S(=O)(=O)(C)[O-].c1n(cc[n+]1C)CC |
| Title of publication | Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6 |
| Authors of publication | Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 1 |
| Pages of publication | 103 |
| a | 8.751 ± 0.005 Å |
| b | 9.126 ± 0.004 Å |
| c | 11.357 ± 0.006 Å |
| α | 97.26 ± 0.04° |
| β | 97.99 ± 0.04° |
| γ | 97.76 ± 0.04° |
| Cell volume | 880.2 ± 0.8 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1172 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.1454 |
| Weighted residual factors for all reflections included in the refinement | 0.1638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180346 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/15. |
7201526.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7201526.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201526.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201526.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7201526.cif |
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Users of the data should acknowledge the original authors of the
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