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Information card for entry 7128171
Preview
| Coordinates | 7128171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H23 N O4 |
|---|---|
| Calculated formula | C27 H23 N O4 |
| SMILES | C1(=O)C(=C[C@@]([C@H](C(=O)c2c(cccc2)NC(=O)C)c2ccccc2)(c2ccccc2)O1)C.C1(=O)C(=C[C@]([C@@H](C(=O)c2c(cccc2)NC(=O)C)c2ccccc2)(c2ccccc2)O1)C |
| Title of publication | Catalytic asymmetric coupling of vinylogous species <i>via</i> deconjugated butenolide addition to vinylogous imines <i>in situ</i> generated from arylsulfonyl indoles. |
| Authors of publication | Yuan, Shu-Pei; Zhang, Xia-Yan; Jia, Yun-Qing; Wang, Zhen-Hua; Zhao, Jian-Qiang; You, Yong; Zhou, Ming-Qiang; Yuan, Wei-Cheng |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 40 |
| Pages of publication | 4938 - 4941 |
| a | 10.2533 ± 0.001 Å |
| b | 10.7469 ± 0.001 Å |
| c | 11.736 ± 0.0009 Å |
| α | 93.016 ± 0.007° |
| β | 99.314 ± 0.007° |
| γ | 116.142 ± 0.01° |
| Cell volume | 1134.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0874 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.1505 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7128171.cif |
| 265880 | 2021-06-05 | cif/ Updating files of 7128170, 7128171 Original log message: Adding full bibliography for 7128170--7128171.cif. |
7128171.cif |
| 264215 | 2021-04-16 | cif/ Adding structures of 7128170, 7128171 via cif-deposit CGI script. |
7128171.cif |
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