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Information card for entry 4128308
Preview
| Coordinates | 4128308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H25 N O7 |
|---|---|
| Calculated formula | C24 H25 N O7 |
| SMILES | O1c2c3[C@H](N([C@H]4[C@@](c3ccc2OC1)([C@@H](O)[C@H](O)c1cc2OCOc2cc41)C)C)CC(=O)C |
| Title of publication | Enantioselective Divergent Syntheses of (+)-Bulleyanaline and Related Isoquinoline Alkaloids from the Genus <i>Corydalis</i>. |
| Authors of publication | Trost, Barry M.; Hung, Chao-I Joey; Jiao, Zhiwei |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 40 |
| Pages of publication | 16085 - 16092 |
| a | 7.0841 ± 0.0001 Å |
| b | 7.0841 ± 0.0001 Å |
| c | 41.0624 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2060.69 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.0248 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4128308.cif |
| 221431 | 2019-11-03 | cif/ Adding structures of 4128308 via cif-deposit CGI script. |
4128308.cif |
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Users of the data should acknowledge the original authors of the
structural data.