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Information card for entry 2241940
Preview
| Coordinates | 2241940.cif |
|---|---|
| Structure factors | 2241940.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4-(<i>n</i>-Hexyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene |
|---|---|
| Formula | C38 H46 N2 O6 |
| Calculated formula | C38 H46 N2 O6 |
| Title of publication | Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(<i>n</i>-pentyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene (2/1) and 4-(<i>n</i>-hexyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene (2/1) |
| Authors of publication | Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1771 - 1775 |
| a | 9.107 ± 0.003 Å |
| b | 12.02 ± 0.005 Å |
| c | 16.672 ± 0.006 Å |
| α | 81.584 ± 0.016° |
| β | 88.416 ± 0.015° |
| γ | 67.905 ± 0.015° |
| Cell volume | 1672 ± 1.1 Å3 |
| Cell temperature | 93 ± 1 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188334 (current) | 2016-11-09 | cif/ hkl/ Adding structures of 2241939, 2241940 via cif-deposit CGI script. |
2241940.cif 2241940.hkl |
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Users of the data should acknowledge the original authors of the
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