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Information card for entry 1555021
Preview
| Coordinates | 1555021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 6-((2-hydroxyphenyl)(phenyl)methyl)cyclohex-2-enone |
|---|---|
| Formula | C19 H18 O2 |
| Calculated formula | C19 H18 O2 |
| SMILES | Oc1c([C@H](c2ccccc2)[C@H]2C(=O)C=CCC2)cccc1.Oc1c([C@@H](c2ccccc2)[C@@H]2C(=O)C=CCC2)cccc1 |
| 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 | 12.91 ± 0.005 Å |
| b | 9.664 ± 0.005 Å |
| c | 12.157 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1516.7 ± 1.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections included in the refinement | 0.1731 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.845 |
| 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. |
1555021.cif |
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