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Information card for entry 1506785
Preview
| Coordinates | 1506785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C20 H27 N O5 |
|---|---|
| Calculated formula | C20 H27 N O5 |
| SMILES | C1(=O)N(c2ccc(cc2)OC)[C@H](C(=O)OCC)[C@@H]2CCCC[C@]2(O)[C@H]1C |
| Title of publication | Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization. |
| Authors of publication | Lam, Hon Wai; Murray, Gordon J.; Firth, James D. |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 25 |
| Pages of publication | 5743 - 5746 |
| a | 6.5512 ± 0.0013 Å |
| b | 17.231 ± 0.004 Å |
| c | 8.6956 ± 0.0018 Å |
| α | 90° |
| β | 104.558 ± 0.003° |
| γ | 90° |
| Cell volume | 950.1 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0649 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for all reflections | 0.1099 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0371 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506785.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506785.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1506785.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506785.cif |
| 50592 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506785 via cif-deposit CGI script. |
1506785.cif |
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Users of the data should acknowledge the original authors of the
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