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Information card for entry 1555955
Preview
| Coordinates | 1555955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 Cl O |
|---|---|
| Calculated formula | C13 H15 Cl O |
| SMILES | Cl[C@@H]1[C@@H]2CC(=O)[C@H]3[C@@H]4C[C@H]([C@H]3[C@]12C)C=C4 |
| Title of publication | Enantioselective Conversion of Achiral Cyclohexadienones to Chiral Cyclohexenones by Desymmetrization. |
| Authors of publication | Han, Yixin; Breitler, Simon; Zheng, Shao-Liang; Corey, E. J. |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 23 |
| Pages of publication | 6172 - 6175 |
| a | 8.7518 ± 0.0002 Å |
| b | 8.9722 ± 0.0002 Å |
| c | 13.5378 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1063.03 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0201 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.0523 |
| Weighted residual factors for all reflections included in the refinement | 0.0524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239276 (current) | 2019-11-24 | cif/ Adding structures of 1555955 via cif-deposit CGI script. |
1555955.cif |
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Users of the data should acknowledge the original authors of the
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