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Information card for entry 7158311
Preview
| Coordinates | 7158311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H29 Cl N2 O7 S2 |
|---|---|
| Calculated formula | C36 H29 Cl N2 O7 S2 |
| SMILES | S1(=O)(=O)C2=C(N(S(=O)(=O)c3ccc(cc3)C)C=C([C@]3([C@@H]2c2ccccc2)c2c(N(C3=O)C)ccc(Cl)c2)C(=O)OCC)c2c1cccc2.S1(=O)(=O)C2=C(N(S(=O)(=O)c3ccc(cc3)C)C=C([C@@]3([C@H]2c2ccccc2)c2c(N(C3=O)C)ccc(Cl)c2)C(=O)OCC)c2c1cccc2 |
| Title of publication | Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives. |
| Authors of publication | Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 40 |
| Pages of publication | 8783 - 8788 |
| a | 10.8359 ± 0.0002 Å |
| b | 11.1243 ± 0.0003 Å |
| c | 17.4373 ± 0.0004 Å |
| α | 86.651 ± 0.002° |
| β | 78.773 ± 0.002° |
| γ | 67.019 ± 0.002° |
| Cell volume | 1897.71 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.0796 |
| Weighted residual factors for significantly intense reflections | 0.2302 |
| Weighted residual factors for all reflections included in the refinement | 0.2366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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 |
|---|---|---|---|
| 270509 (current) | 2021-11-06 | cif/ Updating files of 7158307, 7158308, 7158309, 7158310, 7158311, 7158312, 7158313 Original log message: Adding full bibliography for 7158307--7158313.cif. |
7158311.cif |
| 269236 | 2021-09-22 | cif/ Adding structures of 7158307, 7158308, 7158309, 7158310, 7158311, 7158312, 7158313 via cif-deposit CGI script. |
7158311.cif |
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Users of the data should acknowledge the original authors of the
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