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Information card for entry 1553451
Preview
| Coordinates | 1553451.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H17 N O2 S |
|---|---|
| Calculated formula | C22 H17 N O2 S |
| Title of publication | Copper-catalyzed tandem arylation‒cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles |
| Authors of publication | Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 7 |
| Pages of publication | 870 |
| a | 11.0789 ± 0.0015 Å |
| b | 11.6353 ± 0.0015 Å |
| c | 16.29 ± 0.003 Å |
| α | 93.084 ± 0.009° |
| β | 106.29 ± 0.01° |
| γ | 115.259 ± 0.008° |
| Cell volume | 1786.1 ± 0.5 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.16 |
| Weighted residual factors for all reflections included in the refinement | 0.1651 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.227 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235011 (current) | 2019-11-23 | cif/ Adding structures of 1553450, 1553451 via cif-deposit CGI script. |
1553451.cif |
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Users of the data should acknowledge the original authors of the
structural data.