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Information card for entry 7152699
Preview
| Coordinates | 7152699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H24 Br N O8 |
|---|---|
| Calculated formula | C20 H24 Br N O8 |
| SMILES | Brc1ccccc1[C@@H]1C(CC[C@H]([C@H]1N(=O)=O)CC(=O)OCC)(C(=O)OC)C(=O)OC |
| Title of publication | Concise construction of the tetracyclic core of lycorine-type alkaloids and the formal synthesis of α-lycorane based on asymmetric bifunctional thiourea-catalyzed cascade reaction. |
| Authors of publication | Wang, Yao; Luo, Yong-Chun; Zhang, Hong-Bo; Xu, Peng-Fei |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2012 |
| Journal volume | 10 |
| Journal issue | 41 |
| Pages of publication | 8211 - 8215 |
| a | 10.122 ± 0.006 Å |
| b | 10.799 ± 0.006 Å |
| c | 20.017 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2188 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1185 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1393 |
| Weighted residual factors for all reflections included in the refinement | 0.1905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.767 |
| Diffraction radiation wavelength | 0.71073 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. |
7152699.cif |
| 180312 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/26. |
7152699.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152699.cif |
| 71727 | 2013-01-20 | cif/ Adding structures of 7152699 via cif-deposit CGI script. |
7152699.cif |
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Users of the data should acknowledge the original authors of the
structural data.