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Information card for entry 1554358
Preview
| Coordinates | 1554358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 O5 |
|---|---|
| Calculated formula | C20 H22 O5 |
| SMILES | COc1cc2c([C@H](c3ccc(cc3)OC)[C@H](O2)C(=C)CO)cc1OC |
| Title of publication | Phosphine-mediated enantioselective [4 + 1] annulations between ortho-quinone methides and Morita‒Baylis‒Hillman carbonates |
| Authors of publication | Cheng, Yuyu; Fang, Zhiqiang; Li, Wenjun; Li, Pengfei |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 18 |
| Pages of publication | 2728 |
| a | 12.874 ± 0.0005 Å |
| b | 4.9 ± 0.0002 Å |
| c | 13.9299 ± 0.0006 Å |
| α | 90° |
| β | 93.36 ± 0.003° |
| γ | 90° |
| Cell volume | 877.22 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.1821 |
| Weighted residual factors for all reflections included in the refinement | 0.1928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237154 (current) | 2019-11-24 | cif/ Adding structures of 1554358 via cif-deposit CGI script. |
1554358.cif |
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Users of the data should acknowledge the original authors of the
structural data.