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Information card for entry 1555191
Preview
| Coordinates | 1555191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H23 N O3 S |
|---|---|
| Calculated formula | C25 H23 N O3 S |
| SMILES | S(=O)(=O)(N1[C@@]2(Oc3c([C@@H]([C@H]2C)C=C1)cccc3)c1ccccc1)c1ccc(cc1)C |
| Title of publication | Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals |
| Authors of publication | Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 22 |
| Pages of publication | 3725 |
| a | 8.784 ± 0.003 Å |
| b | 9.976 ± 0.003 Å |
| c | 12.349 ± 0.004 Å |
| α | 90° |
| β | 90.656 ± 0.005° |
| γ | 90° |
| Cell volume | 1082.1 ± 0.6 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0609 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555191.cif |
| 238378 | 2019-11-24 | cif/ Adding structures of 1555189, 1555190, 1555191 via cif-deposit CGI script. |
1555191.cif |
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Users of the data should acknowledge the original authors of the
structural data.