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Information card for entry 7158127
Preview
| Coordinates | 7158127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H24 N S Sb |
|---|---|
| Calculated formula | C27 H24 N S Sb |
| SMILES | [Sb]12(Sc3ccc(cc3)C)[N](Cc3c1cccc3)(c1ccccc1)Cc1c2cccc1 |
| Title of publication | Direct Sb‒S cross-coupling of halostibines with thiols and disulfides at room temperature |
| Authors of publication | Li, Wei; Li, Shan; Wang, Zixiu; Liu, Chenfu; Ye, Yifei; Chen, Yujing; Xiong, Yuyan; lei, jian |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2021 |
| a | 11.9614 ± 0.0005 Å |
| b | 15.2361 ± 0.0007 Å |
| c | 12.3334 ± 0.0005 Å |
| α | 90° |
| β | 92.953 ± 0.004° |
| γ | 90° |
| Cell volume | 2244.72 ± 0.17 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0608 |
| Weighted residual factors for all reflections included in the refinement | 0.0665 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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 |
|---|---|---|---|
| 266522 (current) | 2021-06-17 | cif/ Adding structures of 7158127, 7158128, 7158129 via cif-deposit CGI script. |
7158127.cif |
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Users of the data should acknowledge the original authors of the
structural data.