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Information card for entry 2239319
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| Coordinates | 2239319.cif |
|---|---|
| Structure factors | 2239319.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol |
|---|---|
| Formula | C18 H18 O2 |
| Calculated formula | C18 H18 O2 |
| SMILES | COc1ccc(cc1)[C@@H]1C=C(C)c2c([C@@H]1O)cccc2.COc1ccc(cc1)[C@H]1C=C(C)c2c([C@H]1O)cccc2 |
| Title of publication | <i>cis</i>-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol |
| Authors of publication | Lough, Alan J.; Raheem, Mohammed-Abdul; Tam, William |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o546 |
| a | 11.455 ± 0.0003 Å |
| b | 11.2239 ± 0.0003 Å |
| c | 44.3776 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5705.6 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239319.cif 2239319.hkl |
| 181312 | 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 2/23/93. |
2239319.cif 2239319.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. |
2239319.cif 2239319.hkl |
| 109447 | 2014-04-13 | cif/ hkl/ Adding structures of 2239319 via cif-deposit CGI script. |
2239319.cif 2239319.hkl |
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