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Information card for entry 1555022
Preview
| Coordinates | 1555022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 6-(1-(2-hydroxyphenyl)pentyl)cyclohex-2-enone |
|---|---|
| Formula | C17 H22 O2 |
| Calculated formula | C17 H22 O2 |
| SMILES | O=C1[C@H]([C@@H](c2c(O)cccc2)CCCC)CCC=C1 |
| Title of publication | Michael Additions of Highly Basic Enolates to ortho-Quinone Methides. |
| Authors of publication | Lewis, Robert S.; Garza, Christopher J.; Dang, Ann T.; Pedro, Te Kie A.; Chain, William J. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 9 |
| Pages of publication | 2278 - 2281 |
| a | 8.6511 ± 0.0017 Å |
| b | 11.009 ± 0.002 Å |
| c | 15.784 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1503.3 ± 0.5 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 273 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.4135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.577 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238275 (current) | 2019-11-24 | cif/ Adding structures of 1555021, 1555022 via cif-deposit CGI script. |
1555022.cif |
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