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Information card for entry 7118168
Preview
| Coordinates | 7118168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H58 Cl4 N2 S2 |
|---|---|
| Calculated formula | C71 H58 Cl4 N2 S2 |
| Title of publication | A highly enantioselective thiolation of sulfonyl indoles to access 3-sec-sulfur-substituted indoles in water |
| Authors of publication | Ping Chen; Sheng-mei Lu; Wengang Guo; Yan Liu; Can Li |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 96 |
| a | 13.4055 ± 0.0007 Å |
| b | 15.0828 ± 0.0008 Å |
| c | 29.1775 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5899.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0719 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1365 |
| Weighted residual factors for all reflections included in the refinement | 0.1465 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171606 (current) | 2015-12-18 | cif/ Adding structures of 7118168 via cif-deposit CGI script. |
7118168.cif |
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Users of the data should acknowledge the original authors of the
structural data.