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Information card for entry 1570766
Preview
| Coordinates | 1570766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H15 N O3 S |
|---|---|
| Calculated formula | C22 H15 N O3 S |
| SMILES | S1(=O)(=O)n2c(c(c3ccccc3)c3c(c2=O)cccc3C)c2c1cccc2 |
| Title of publication | Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides. |
| Authors of publication | Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 8 |
| Pages of publication | 2827 - 2832 |
| a | 8.9045 ± 0.0005 Å |
| b | 10.4068 ± 0.0005 Å |
| c | 11.071 ± 0.0006 Å |
| α | 63.033 ± 0.002° |
| β | 71.405 ± 0.002° |
| γ | 75.259 ± 0.002° |
| Cell volume | 859.28 ± 0.08 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 | 0.0324 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0771 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290111 (current) | 2024-03-04 | cif/ Updating files of 1570763, 1570764, 1570765, 1570766, 1570767 Original log message: Adding full bibliography for 1570763--1570767.cif. |
1570766.cif |
| 289037 | 2024-01-12 | cif/ Adding structures of 1570763, 1570764, 1570765, 1570766, 1570767 via cif-deposit CGI script. |
1570766.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.