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Information card for entry 7238761
Preview
| Coordinates | 7238761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H27 Cl2 N O5 S |
|---|---|
| Calculated formula | C23 H27 Cl2 N O5 S |
| Title of publication | From isoxazolidines to tetrahydro-1,3-oxazines for the synthesis of chiral pyrrolidines |
| Authors of publication | Flores, MariFe; García-García, Pilar; Garrido, Narciso M.; Marcos, Isidro S.; Sanz, Francisca; Díez, David |
| Journal of publication | RSC Advances |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 29 |
| Pages of publication | 11040 |
| a | 6.0659 ± 0.0002 Å |
| b | 15.5656 ± 0.0006 Å |
| c | 12.9608 ± 0.0005 Å |
| α | 90° |
| β | 99.791 ± 0.003° |
| γ | 90° |
| Cell volume | 1205.93 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238761.cif |
| 244335 | 2019-11-28 | cif/ Adding structures of 7238761 via cif-deposit CGI script. |
7238761.cif |
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Users of the data should acknowledge the original authors of the
structural data.