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Information card for entry 7125692
Preview
| Coordinates | 7125692.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H24 N2 O5 S2 |
|---|---|
| Calculated formula | C14 H24 N2 O5 S2 |
| Title of publication | Organocatalytic enantioselective synthesis of 2,5,5-trisubstituted piperidines bearing a quaternary stereocenter. Vinyl sulfonamide as a new amine protecting group. |
| Authors of publication | Escolano, Marcos; Guerola, Marta; Torres, Javier; Gaviña, Daniel; Alzuet-Piña, Gloria; Sánchez-Rosello, María; Del Pozo, Carlos |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 9 |
| Pages of publication | 1425 - 1428 |
| a | 7.25874 ± 0.00008 Å |
| b | 6.61591 ± 0.00006 Å |
| c | 18.72215 ± 0.00018 Å |
| α | 90° |
| β | 91.4852 ± 0.0009° |
| γ | 90° |
| Cell volume | 898.795 ± 0.015 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0251 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125692.cif |
| 247613 | 2020-02-04 | cif/ Updating files of 7125692 Original log message: Adding full bibliography for 7125692.cif. |
7125692.cif |
| 245567 | 2019-12-25 | cif/ Adding structures of 7125692 via cif-deposit CGI script. |
7125692.cif |
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Users of the data should acknowledge the original authors of the
structural data.