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Information card for entry 7118624
Preview
| Coordinates | 7118624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H33 N O5 |
|---|---|
| Calculated formula | C19 H33 N O5 |
| Title of publication | The Evans Aldol-Prins cyclization: a general and stereoselective method for the synthesis of 2,3,4,5,6-pentasubstituted tetrahydropyrans. |
| Authors of publication | Álvarez-Méndez, Sergio J; García, Celina; Martín, Víctor S |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 16 |
| Pages of publication | 3380 - 3383 |
| a | 19.4474 ± 0.0011 Å |
| b | 10.8872 ± 0.0005 Å |
| c | 9.4942 ± 0.0005 Å |
| α | 90° |
| β | 99.138 ± 0.005° |
| γ | 90° |
| Cell volume | 1984.67 ± 0.18 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0895 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.2167 |
| Weighted residual factors for all reflections included in the refinement | 0.2303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118624.cif |
| 177669 | 2016-03-05 | cif/ Updating files of 7118624 Original log message: Adding full bibliography for 7118624.cif. |
7118624.cif |
| 175122 | 2016-01-27 | cif/ Adding structures of 7118624 via cif-deposit CGI script. |
7118624.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.