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Information card for entry 2239512
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| Coordinates | 2239512.cif |
|---|---|
| Structure factors | 2239512.hkl |
| Original paper (by DOI) | HTML |
| Common name | 1,6-bis(p-tolyloxy)hexane |
|---|---|
| Chemical name | 1,6-Bis(<i>p</i>-tolyloxy)hexane |
| Formula | C20 H26 O2 |
| Calculated formula | C20 H26 O2 |
| SMILES | Cc1ccc(cc1)OCCCCCCOc1ccc(cc1)C |
| Title of publication | 1,6-Bis(<i>p</i>-tolyloxy)hexane |
| Authors of publication | Zhang, XiuQin; Xiao, Jian; Xue, Wei-Wei; Chen, Qiang; Wang, Kai |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o617 |
| a | 18.932 ± 0.012 Å |
| b | 7.327 ± 0.004 Å |
| c | 6.352 ± 0.004 Å |
| α | 90° |
| β | 91 ± 0.013° |
| γ | 90° |
| Cell volume | 881 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1207 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.2388 |
| Weighted residual factors for all reflections included in the refinement | 0.3164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239512.cif 2239512.hkl |
| 181314 | 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 2/23/95. |
2239512.cif 2239512.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. |
2239512.cif 2239512.hkl |
| 112429 | 2014-05-01 | cif/ hkl/ Adding structures of 2239512 via cif-deposit CGI script. |
2239512.cif 2239512.hkl |
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Users of the data should acknowledge the original authors of the
structural data.