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Information card for entry 7206056
Preview
| Coordinates | 7206056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C22 H48 Br N O2 |
|---|---|
| Calculated formula | C22 H48 Br N O2 |
| SMILES | [Br-].[N+](C[C@H](O)COCCCCCCCCCCCCCCCC)(C)(C)C |
| Title of publication | Ionic liquid crystals of quaternary ammonium salts with a 2-hydroxypropoxy insertion group |
| Authors of publication | Wei, Zengbin; Wei, Xilian; Wang, Xiuhong; Wang, Zhongni; Liu, Jie |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2011 |
| Journal volume | 21 |
| Journal issue | 19 |
| Pages of publication | 6875 |
| a | 5.9075 ± 0.001 Å |
| b | 7.3979 ± 0.0013 Å |
| c | 28.899 ± 0.003 Å |
| α | 90° |
| β | 90.592 ± 0.001° |
| γ | 90° |
| Cell volume | 1262.9 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1723 |
| Residual factor for significantly intense reflections | 0.0692 |
| Weighted residual factors for significantly intense reflections | 0.1202 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7206056.cif |
| 180391 | 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 7/20/60. |
7206056.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206056.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206056.cif |
| 21407 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7206056, 7206057 via cif-deposit CGI script. |
7206056.cif |
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Users of the data should acknowledge the original authors of the
structural data.