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Information card for entry 2020284
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| Coordinates | 2020284.cif |
|---|---|
| Structure factors | 2020284.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-(4-Hexyloxy-3-hydroxyphenyl)ethanone |
|---|---|
| Formula | C14 H20 O3 |
| Calculated formula | C14 H20 O3 |
| Title of publication | Crystallographic identification of an unexpected by-product in an Ullman's reaction toward biphenyls: 1-(4-hexyloxy-3-hydroxyphenyl)ethanone |
| Authors of publication | Manzano, Veronica E.; Baggio, Ricardo; Cukiernik, Fabio D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| a | 19.3847 ± 0.001 Å |
| b | 9.0716 ± 0.0004 Å |
| c | 30.3953 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5345 ± 0.4 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.129 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1475 |
| Weighted residual factors for all reflections included in the refinement | 0.1892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181872 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02 |
2020284.cif 2020284.hkl |
| 169874 | 2015-10-30 | cif/ hkl/ Adding structures of 2020284 via cif-deposit CGI script. |
2020284.cif 2020284.hkl |
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Users of the data should acknowledge the original authors of the
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