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Information card for entry 1554379
Preview
| Coordinates | 1554379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 6o |
|---|---|
| Formula | C32 H27 N O5 S |
| Calculated formula | C32 H27 N O5 S |
| SMILES | S(=O)(=O)(N(C(=O)/C=C(OC(=O)c1ccccc1)/C(=C/c1ccccc1)C)c1ccccc1)c1ccc(cc1)C |
| Title of publication | Cu(i)-Catalyzed stereoselective synthesis of trisubstituted Z-enol esters via interrupting the 1,3-O-transposition reaction |
| Authors of publication | Zhang, Changyuan; Chen, Lianfen; Chen, Kai; Wang, Chuntao; Xu, Zurong; Jiang, Huanfeng; Zhu, Shifa |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 16 |
| Pages of publication | 2510 |
| a | 10.276 ± 0.0012 Å |
| b | 12.5669 ± 0.0014 Å |
| c | 13.0463 ± 0.0013 Å |
| α | 66.455 ± 0.01° |
| β | 73.203 ± 0.009° |
| γ | 66.317 ± 0.011° |
| Cell volume | 1397.8 ± 0.3 Å3 |
| Cell temperature | 268 ± 40 K |
| Ambient diffraction temperature | 268 ± 40 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1099 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.1707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237176 (current) | 2019-11-24 | cif/ Adding structures of 1554379 via cif-deposit CGI script. |
1554379.cif |
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Users of the data should acknowledge the original authors of the
structural data.