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Information card for entry 7158312
Preview
| Coordinates | 7158312.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)[C@]2(/C(=N/S(=O)(=O)c3ccc(cc3)C)c3c1cccc3)[C@@]1(C(=C[C@H]2c2ccccc2)C(=O)OCC)C(=O)N(c2c1cc(Cl)cc2)C.S1(=O)(=O)[C@@]2(/C(=N/S(=O)(=O)c3ccc(cc3)C)c3c1cccc3)[C@]1(C(=C[C@@H]2c2ccccc2)C(=O)OCC)C(=O)N(c2c1cc(Cl)cc2)C |
| 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 | 28.3232 ± 0.0011 Å |
| b | 11.8905 ± 0.0003 Å |
| c | 26.1613 ± 0.001 Å |
| α | 90° |
| β | 114.144 ± 0.004° |
| γ | 90° |
| Cell volume | 8039.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0861 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1783 |
| Weighted residual factors for all reflections included in the refinement | 0.1957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| 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. |
7158312.cif |
| 269236 | 2021-09-22 | cif/ Adding structures of 7158307, 7158308, 7158309, 7158310, 7158311, 7158312, 7158313 via cif-deposit CGI script. |
7158312.cif |
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Users of the data should acknowledge the original authors of the
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