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Information card for entry 4135589
Preview
| Coordinates | 4135589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H28 O4 Si |
|---|---|
| Calculated formula | C17 H28 O4 Si |
| SMILES | [Si](C#C[C@@]12O[C@]([C@@H]([C@H]1OCOC)CC=C2C)(CO)C)(C)(C)C |
| Title of publication | Enantioselective Synthesis of Euonyminol. |
| Authors of publication | Tomanik, Martin; Xu, Zhi; Herzon, Seth B. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2021 |
| Journal volume | 143 |
| Journal issue | 2 |
| Pages of publication | 699 - 704 |
| a | 6.0541 ± 0.0001 Å |
| b | 14.1336 ± 0.0003 Å |
| c | 21.0131 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1798.01 ± 0.05 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections included in the refinement | 0.0711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302124 (current) | 2025-09-12 | cif/4 and cif/7: Fixing Z values and formulae |
4135589.cif |
| 261463 | 2021-02-04 | cif/ Adding structures of 4135589 via cif-deposit CGI script. |
4135589.cif |
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Users of the data should acknowledge the original authors of the
structural data.