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Information card for entry 8101873
Preview
| Coordinates | 8101873.cif |
|---|
| Chemical name | trans-4-[4-(N,N-diethylamino)-2-hydroxy-styryl]-N-methylpyridinium iodide monohydrate acetonitrile hemisolvate |
|---|---|
| Formula | C19 H26.5 I N2.5 O2 |
| Calculated formula | C19 H26.5 I N2.5 O2 |
| Title of publication | Crystal structure of trans-4-[4-(N,N-diethylamino)-2-hydroxystyryl]- N-methylpyridinium iodide monohydrate acetonitrile hemisolvate, (C~18~H~23~N~2~O)I · H~2~O · ½CH~3~CN |
| Authors of publication | Cao, D.-X.; Chen, H.-Y.; Li, G.-Z.; Wang, Y.-H.; Liu, Z.-Q. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 4 |
| Pages of publication | 591 - 593 |
| a | 35.97 ± 0.004 Å |
| b | 11.627 ± 0.0015 Å |
| c | 22.081 ± 0.003 Å |
| α | 90° |
| β | 114.341 ± 0.007° |
| γ | 90° |
| Cell volume | 8413.9 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1514 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.903 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101873.cif |
| 107934 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101873.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101873.cif |
| 12612 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101873 via cif-deposit CGI script. |
8101873.cif |
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