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Information card for entry 2243327
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| Coordinates | 2243327.cif |
|---|---|
| Structure factors | 2243327.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,3-Dibenzyloxy-2-(methylsulfanyl)imidazolium tetrafluoridoborate |
|---|---|
| Formula | C18 H19 B F4 N2 O2 S |
| Calculated formula | C18 H19 B F4 N2 O2 S |
| Title of publication | Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates |
| Authors of publication | Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 4 |
| Pages of publication | 552 - 556 |
| a | 7.9117 ± 0.0003 Å |
| b | 11.476 ± 0.0004 Å |
| c | 20.9659 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1903.59 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c 21 b |
| Hall space group symbol | P -2bc -2c |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249476 (current) | 2020-03-18 | cif/ hkl/ Adding structures of 2243326, 2243327 via cif-deposit CGI script. |
2243327.cif 2243327.hkl |
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