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Information card for entry 1545235
Preview
| Coordinates | 1545235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H29 N O4 |
|---|---|
| Calculated formula | C21 H29 N O4 |
| SMILES | O([C@@H](c1ccccc1)[C@H](/C=C/C(=O)N1C(=O)OC([C@@H]1C(C)C)(C)C)C)C |
| Title of publication | Syn Selective Vinylogous Mukaiyama Aldol Reaction Using Z,E-Vinylketene N,O-Acetal with Acetals. |
| Authors of publication | Sagawa, Naoya; Moriya, Hiroki; Hosokawa, Seijiro |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 1 |
| Pages of publication | 250 - 253 |
| a | 11.8946 ± 0.0009 Å |
| b | 7.631 ± 0.0006 Å |
| c | 12.2455 ± 0.001 Å |
| α | 90° |
| β | 112.27 ± 0.004° |
| γ | 90° |
| Cell volume | 1028.59 ± 0.14 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.1918 |
| Residual factor for significantly intense reflections | 0.0901 |
| Weighted residual factors for significantly intense reflections | 0.1846 |
| Weighted residual factors for all reflections included in the refinement | 0.2607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191327 (current) | 2017-02-04 | cif/ Adding structures of 1545235 via cif-deposit CGI script. |
1545235.cif |
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Users of the data should acknowledge the original authors of the
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