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Information card for entry 7127724
Preview
| Coordinates | 7127724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H21 N O5 S |
|---|---|
| Calculated formula | C16 H17 N O5 S |
| SMILES | S(=O)(=O)(CCC(=O)c1ccccc1)CCc1ncccc1.O.O |
| Title of publication | A metal-free reaction of sulfur dioxide, cyclopropanols and electron-deficient olefins. |
| Authors of publication | Zhang, Chun; Huang, Jiapian; Ye, Shengqing; Tang, Jie; Wu, Jie |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 89 |
| Pages of publication | 13852 - 13855 |
| a | 19.9401 ± 0.0007 Å |
| b | 5.3894 ± 0.0002 Å |
| c | 32.9348 ± 0.0013 Å |
| α | 90° |
| β | 101.506 ± 0.002° |
| γ | 90° |
| Cell volume | 3468.2 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0638 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.2052 |
| Weighted residual factors for all reflections included in the refinement | 0.2091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260461 (current) | 2021-01-04 | cif/ Adding structures of 7127724 via cif-deposit CGI script. |
7127724.cif |
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Users of the data should acknowledge the original authors of the
structural data.