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Information card for entry 2019953
Preview
| Coordinates | 2019953.cif |
|---|---|
| Structure factors | 2019953.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-2,2',4,4',5,5'-Hexamethoxystilbene |
|---|---|
| Formula | C20 H24 O6 |
| Calculated formula | C20 H24 O6 |
| SMILES | C(=C\c1c(cc(c(c1)OC)OC)OC)\c1c(cc(c(c1)OC)OC)OC |
| Title of publication | A sterically congested <i>cis</i>-stilbene and its phosphonium salt precursor |
| Authors of publication | Shivaprakash, Shivanna; Reddy, G. Chandrasekara; Jasinski, Jerry P.; Millikan, Sean P.; Duff, Courtney E.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| a | 17.034 ± 0.0007 Å |
| b | 5.0747 ± 0.0002 Å |
| c | 22.6111 ± 0.001 Å |
| α | 90° |
| β | 110.917 ± 0.005° |
| γ | 90° |
| Cell volume | 1825.75 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0605 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1389 |
| Weighted residual factors for all reflections included in the refinement | 0.147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019953.cif 2019953.hkl |
| 136662 | 2015-05-17 | cif/ hkl/ Adding structures of 2019952, 2019953 via cif-deposit CGI script. |
2019953.cif 2019953.hkl |
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Users of the data should acknowledge the original authors of the
structural data.