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Information card for entry 7124845
Preview
| Coordinates | 7124845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 Cl2 N O4 S |
|---|---|
| Calculated formula | C18 H17 Cl2 N O4 S |
| Title of publication | Direct synthesis of sulfonated dihydroisoquinolinones from N-allylbenzamide and arylsulfinic acids via TBHP-promoted cascade radical addition and cyclization. |
| Authors of publication | Xia, Dong; Li, Yang; Miao, Tao; Li, Pinhua; Wang, Lei |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 77 |
| Pages of publication | 11559 - 11562 |
| a | 13.725 ± 0.003 Å |
| b | 7.0845 ± 0.0016 Å |
| c | 20.233 ± 0.005 Å |
| α | 90° |
| β | 108.593 ± 0.007° |
| γ | 90° |
| Cell volume | 1864.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234278 (current) | 2019-11-23 | cif/ Adding structures of 7124845 via cif-deposit CGI script. |
7124845.cif |
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Users of the data should acknowledge the original authors of the
structural data.