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Information card for entry 1546730
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| Coordinates | 1546730.cif |
|---|---|
| Structure factors | 1546730.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione |
|---|---|
| Formula | C13 H9 F13 N2 S |
| Calculated formula | C13 H9 F13 N2 S |
| Title of publication | 3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione |
| Authors of publication | Partl, Gabriel; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 5 |
| Pages of publication | x170648 |
| a | 7.425 ± 0.001 Å |
| b | 9.952 ± 0.002 Å |
| c | 24.359 ± 0.004 Å |
| α | 85.076 ± 0.005° |
| β | 83.431 ± 0.005° |
| γ | 88.72 ± 0.005° |
| Cell volume | 1781.4 ± 0.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0885 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1609 |
| Weighted residual factors for all reflections included in the refinement | 0.1759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199326 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 1546730 via cif-deposit CGI script. |
1546730.cif 1546730.hkl |
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Users of the data should acknowledge the original authors of the
structural data.