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Information card for entry 2239573
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| Coordinates | 2239573.cif |
|---|---|
| Structure factors | 2239573.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene |
|---|---|
| Formula | C18 H24 O2 |
| Calculated formula | C18 H24 O2 |
| SMILES | COc1cc2c(cc1OC)CC=C[C@H]2C1CCCCC1 |
| Title of publication | 1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene |
| Authors of publication | Chen, Shao-Yuan; Zhang, Ya-Ping; Huang, Bing; Yu, Jia-Jun; Shi, Wei-Yong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o671 |
| a | 9.0635 ± 0.0004 Å |
| b | 6.3973 ± 0.0003 Å |
| c | 13.9872 ± 0.0007 Å |
| α | 90° |
| β | 104.241 ± 0.005° |
| γ | 90° |
| Cell volume | 786.08 ± 0.07 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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. |
2239573.cif 2239573.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. |
2239573.cif 2239573.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. |
2239573.cif 2239573.hkl |
| 113950 | 2014-05-18 | cif/ hkl/ Adding structures of 2239573 via cif-deposit CGI script. |
2239573.cif 2239573.hkl |
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Users of the data should acknowledge the original authors of the
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