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Information card for entry 7155991
Preview
| Coordinates | 7155991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H17 N O4 |
|---|---|
| Calculated formula | C14 H17 N O4 |
| SMILES | C1(=O)N(C[C@@H]([C@@H]2[C@H]1O2)O)[C@H](c1ccc(OC)cc1)C |
| Title of publication | The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine. |
| Authors of publication | Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2017 |
| Journal volume | 16 |
| Journal issue | 1 |
| Pages of publication | 77 - 88 |
| a | 6.32903 ± 0.00009 Å |
| b | 8.54815 ± 0.00013 Å |
| c | 23.7167 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1283.11 ± 0.03 Å3 |
| Cell temperature | 99.97 ± 0.12 K |
| Ambient diffraction temperature | 99.97 ± 0.12 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 | 0.0306 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0735 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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 |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155991.cif |
| 230638 | 2019-11-17 | cif/ Updating files of 7155991, 7155992, 7155993 Original log message: Adding full bibliography for 7155991--7155993.cif. |
7155991.cif |
| 203440 | 2017-11-22 | cif/ Adding structures of 7155991, 7155992, 7155993 via cif-deposit CGI script. |
7155991.cif |
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Users of the data should acknowledge the original authors of the
structural data.