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Information card for entry 1553447
Preview
| Coordinates | 1553447.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 N O3 S |
|---|---|
| Calculated formula | C26 H21 N O3 S |
| SMILES | S1(=O)(=O)N(C(=O)CCc2c(c3c1cccc3)c(c1ccccc1c2)c1ccccc1)C |
| Title of publication | A palladium-catalyzed tandem reaction of 2-alkynylbenzenesulfonamides with 2-(2-bromoarylidene)cyclobutanones |
| Authors of publication | Gong, Xinxing; Xia, Hongguang; Wu, Jie |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | 697 |
| a | 21.51 ± 0.02 Å |
| b | 10.73 ± 0.01 Å |
| c | 19.7 ± 0.019 Å |
| α | 90° |
| β | 113.492 ± 0.012° |
| γ | 90° |
| Cell volume | 4170 ± 7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1656 |
| Residual factor for significantly intense reflections | 0.1158 |
| Weighted residual factors for significantly intense reflections | 0.3092 |
| Weighted residual factors for all reflections included in the refinement | 0.3265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235005 (current) | 2019-11-23 | cif/ Adding structures of 1553447 via cif-deposit CGI script. |
1553447.cif |
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Users of the data should acknowledge the original authors of the
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