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Information card for entry 1545749
Preview
| Coordinates | 1545749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H39 N O9 |
|---|---|
| Calculated formula | C29 H39 N O9 |
| SMILES | N12CCc3c(cc4OCOc4c3)[C@H]3[C@]1(CCC2)C=C(OC)[C@H]3OC(=O)[C@](O)(CC(=O)OC)CCCC(O)(C)C |
| Title of publication | Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction. |
| Authors of publication | Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 9 |
| Pages of publication | 2250 - 2253 |
| a | 11.732 ± 0.004 Å |
| b | 15.204 ± 0.005 Å |
| c | 15.864 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2829.7 ± 1.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0932 |
| Residual factor for significantly intense reflections | 0.0832 |
| Weighted residual factors for significantly intense reflections | 0.1737 |
| Weighted residual factors for all reflections included in the refinement | 0.1787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.213 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1545749.cif |
| 197487 | 2017-06-05 | cif/ Updating files of 1545749 Original log message: Adding full bibliography for 1545749.cif. |
1545749.cif |
| 195458 | 2017-04-15 | cif/ Adding structures of 1545749 via cif-deposit CGI script. |
1545749.cif |
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Users of the data should acknowledge the original authors of the
structural data.