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Information card for entry 1566404
Preview
| Coordinates | 1566404.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H31 F O5 |
|---|---|
| Calculated formula | C37 H31 F O5 |
| SMILES | O1[C@]2(OC(=C([C@H]2[C@H]([C@@H]1/C=C/C(=O)OC(c1ccccc1)c1ccccc1)c1ccc(F)cc1)C(=O)C)C)c1ccccc1 |
| Title of publication | Phosphine-catalyzed divergent domino processes between γ-substituted allenoates and carbonyl-activated alkenes |
| Authors of publication | Wu, Mingyue; Han, Zhaobin; Ni, Huanzhen; Wang, Nengzhong; Ding, Kuiling; Lu, Yixin |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 10.9625 ± 0.0016 Å |
| b | 9.5991 ± 0.0014 Å |
| c | 14.075 ± 0.002 Å |
| α | 90° |
| β | 97.804 ± 0.004° |
| γ | 90° |
| Cell volume | 1467.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0258 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0638 |
| Weighted residual factors for all reflections included in the refinement | 0.0638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273131 (current) | 2022-02-24 | cif/ Adding structures of 1566404, 1566405 via cif-deposit CGI script. |
1566404.cif |
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Users of the data should acknowledge the original authors of the
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