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Information card for entry 2242840
Preview
| Coordinates | 2242840.cif |
|---|---|
| Structure factors | 2242840.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-[(<i>E</i>)-2-(4-Methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane |
|---|---|
| Formula | C15 H16 F6 N O P |
| Calculated formula | C15 H16 F6 N O P |
| Title of publication | Crystal structure determination of two pyridine derivatives: 4-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane and 4-[(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl]-1-phenyl-1λ^5^-pyridin-1-ylium hexafluoro-λ^6^-phosphane |
| Authors of publication | Mani, J. Arul Martin; Mercina, M.; Inglebert, S. Antony; Narayanan, P.; Joseph, V.; Sagayaraj, P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| Pages of publication | 288 - 291 |
| a | 6.432 ± 0.0002 Å |
| b | 9.3645 ± 0.0003 Å |
| c | 13.607 ± 0.0005 Å |
| α | 90° |
| β | 101.868 ± 0.002° |
| γ | 90° |
| Cell volume | 802.06 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0366 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213445 (current) | 2019-02-02 | cif/ hkl/ Adding structures of 2242840, 2242841 via cif-deposit CGI script. |
2242840.cif 2242840.hkl |
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Users of the data should acknowledge the original authors of the
structural data.