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Information card for entry 7158084
Preview
| Coordinates | 7158084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 160628No1 |
|---|---|
| Chemical name | 160628No1 |
| Formula | C18 H17 N O3 S |
| Calculated formula | C18 H17 N O3 S |
| SMILES | O=C1Cc2ccccc2C(C=C)N1S(=O)(=O)c1ccc(cc1)C |
| Title of publication | Catalyst-controlled divergent transformations of <i>N</i>-sulfonyl-1,2,3-triazoles into isoquinolin-3-ones and 2-aminoindanones. |
| Authors of publication | Lee, Kyu Ree; Jung, Da Jung; Ahn, Subin; Kim, Ji Won; Lee, Sang-Gi |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 23 |
| Pages of publication | 5093 - 5097 |
| a | 8.3301 ± 0.0005 Å |
| b | 10.1313 ± 0.0005 Å |
| c | 10.5314 ± 0.0006 Å |
| α | 106.868 ± 0.002° |
| β | 106.256 ± 0.002° |
| γ | 99.042 ± 0.002° |
| Cell volume | 788.58 ± 0.08 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267249 (current) | 2021-07-05 | cif/ Updating files of 7158083, 7158084 Original log message: Adding full bibliography for 7158083--7158084.cif. |
7158084.cif |
| 265354 | 2021-05-20 | cif/ Adding structures of 7158083, 7158084 via cif-deposit CGI script. |
7158084.cif |
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Users of the data should acknowledge the original authors of the
structural data.