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Information card for entry 1505091
Preview
| Coordinates | 1505091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C9 H17 Br N2 O2 |
|---|---|
| Calculated formula | C9 H17 Br N2 O2 |
| SMILES | [Br-].O(CC[n+]1cn(cc1)C)CCOC |
| Title of publication | Revisiting ether-derivatized imidazolium-based ionic liquids. |
| Authors of publication | Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J. |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2007 |
| Journal volume | 111 |
| Journal issue | 34 |
| Pages of publication | 10095 - 10108 |
| a | 7.155 ± 0.0012 Å |
| b | 14.609 ± 0.003 Å |
| c | 11.88 ± 0.003 Å |
| α | 90° |
| β | 105.698 ± 0.016° |
| γ | 90° |
| Cell volume | 1195.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0985 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1207 |
| Weighted residual factors for all reflections included in the refinement | 0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505091.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505091.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505091.cif |
| 45338 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505087, 1505088, 1505089, 1505090, 1505091, 1505092 via cif-deposit CGI script. |
1505091.cif |
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Users of the data should acknowledge the original authors of the
structural data.