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Information card for entry 7132300
Preview
| Coordinates | 7132300.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H13 N O4 S |
|---|---|
| Calculated formula | C18 H13 N O4 S |
| SMILES | C1(=O)c2ccccc2C(C2=COC(=O)O2)(c2ccc(cc2)SC)N1 |
| Title of publication | Rhodium-catalyzed divergent dehydroxylation/alkenylation of hydroxyisoindolinones with vinylene carbonate |
| Authors of publication | Nan, Jiang; Liang, Lu |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 18.3299 ± 0.0018 Å |
| b | 18.3299 ± 0.0018 Å |
| c | 10.8617 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3649.4 ± 0.7 Å3 |
| Cell temperature | 276 ± 2 K |
| Ambient diffraction temperature | 276 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.1015 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1443 |
| Weighted residual factors for all reflections included in the refinement | 0.167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287257 (current) | 2023-11-05 | cif/ Adding structures of 7132300, 7132301 via cif-deposit CGI script. |
7132300.cif |
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Users of the data should acknowledge the original authors of the
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