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Information card for entry 2237767
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| Coordinates | 2237767.cif |
|---|---|
| Structure factors | 2237767.hkl |
| Original IUCr paper | HTML |
| Common name | 4-(4-Bromostyryl)-1-methylpyridinium tosylate |
|---|---|
| Chemical name | 4-[2-(4-Bromophenyl)ethenyl]-1-methylpyridin-1-ium 4-methylbenzene-1-sulfonate |
| Formula | C21 H20 Br N O3 S |
| Calculated formula | C21 H20 Br N O3 S |
| Title of publication | 4-(4-Bromostyryl)-1-methylpyridinium tosylate |
| Authors of publication | Kumar, M. Krishna; Sudhahar, S.; Sornamurthy, B. M.; Chakkaravarthi, G.; Kumar, R. Mohan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | o694 |
| a | 9.0502 ± 0.0002 Å |
| b | 6.4201 ± 0.0001 Å |
| c | 33.928 ± 0.0007 Å |
| α | 90° |
| β | 94.469 ± 0.001° |
| γ | 90° |
| Cell volume | 1965.33 ± 0.07 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1165 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181299 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/77. |
2237767.cif 2237767.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237767.cif 2237767.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237767.cif 2237767.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237767.cif 2237767.hkl |
| 86431 | 2013-07-11 | cif/ Adding structures of 2237767 via cif-deposit CGI script. |
2237767.cif |
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Users of the data should acknowledge the original authors of the
structural data.