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Information card for entry 8101972
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| Coordinates | 8101972.cif |
|---|
| Chemical name | 4-hexyl-4'-hydroxyazobenzene isopropanol hemisolvate |
|---|---|
| Formula | C19.5 H26 N2 O1.5 |
| Calculated formula | C19.5 H26 N2 O1.5 |
| Title of publication | Crystal structure of 4-hexyl-4'-hydroxyazobenzene isopropanol hemisolvate, C~18~H~22~N~2~O · ½C~3~H~8~O |
| Authors of publication | Nasiri, H. R.; Bolte, M.; Lorch, M.; Schwalbe, H. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 2 |
| Pages of publication | 219 - 220 |
| a | 6.1744 ± 0.0008 Å |
| b | 14.9146 ± 0.0019 Å |
| c | 19.453 ± 0.003 Å |
| α | 87.552 ± 0.011° |
| β | 84.371 ± 0.011° |
| γ | 88.936 ± 0.011° |
| Cell volume | 1781 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1458 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1598 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.798 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
8101972.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8101972.cif |
| 107948 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101972.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101972.cif |
| 12711 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101972 via cif-deposit CGI script. |
8101972.cif |
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