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Information card for entry 7155992
Preview
| Coordinates | 7155992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H19 N O5 |
|---|---|
| Calculated formula | C17 H19 N O5 |
| SMILES | C1(=O)[C@@H]2[C@H]([C@@H]3[C@H]([C@@H]4[C@H](O3)OC(C)(C)O4)N1Cc1ccccc1)O2 |
| 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 | 9.66134 ± 0.00017 Å |
| b | 5.45597 ± 0.0001 Å |
| c | 14.8724 ± 0.0002 Å |
| α | 90° |
| β | 93.7727 ± 0.0016° |
| γ | 90° |
| Cell volume | 782.25 ± 0.02 Å3 |
| Cell temperature | 291.84 ± 0.1 K |
| Ambient diffraction temperature | 291.84 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
7155992.cif |
| 230638 | 2019-11-17 | cif/ Updating files of 7155991, 7155992, 7155993 Original log message: Adding full bibliography for 7155991--7155993.cif. |
7155992.cif |
| 203440 | 2017-11-22 | cif/ Adding structures of 7155991, 7155992, 7155993 via cif-deposit CGI script. |
7155992.cif |
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Users of the data should acknowledge the original authors of the
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