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Information card for entry 7155290
Preview
| Coordinates | 7155290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Amide ester |
|---|---|
| Formula | C25 H26 N2 O6 S |
| Calculated formula | C25 H26 N2 O6 S |
| SMILES | S(=O)(=O)(n1c2c(c3ccccc13)CCN1C(=O)CC[C@](O)([C@@H]21)CC(=O)OC)c1ccc(cc1)C |
| Title of publication | Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction. |
| Authors of publication | Mondal, Pravat; Argade, Narshinha P. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 44 |
| Pages of publication | 10394 - 10406 |
| a | 7.4819 ± 0.0003 Å |
| b | 12.1332 ± 0.0005 Å |
| c | 25.226 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2290 ± 0.15 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| 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 | 0.0538 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| 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. |
7155290.cif |
| 190264 | 2017-01-09 | cif/ Updating files of 7155290, 7155291, 7155292 Original log message: Adding full bibliography for 7155290--7155292.cif. |
7155290.cif |
| 186892 | 2016-10-04 | cif/ Adding structures of 7155290, 7155291, 7155292 via cif-deposit CGI script. |
7155290.cif |
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Users of the data should acknowledge the original authors of the
structural data.