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Information card for entry 7132301
Preview
| Coordinates | 7132301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 N O2 |
|---|---|
| Calculated formula | C17 H13 N O2 |
| SMILES | O1C2(c3c(cc(cc3)C)C=C1)NC(=O)c1c2cccc1 |
| 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 | 7.5438 ± 0.0013 Å |
| b | 9.2653 ± 0.0016 Å |
| c | 10.844 ± 0.002 Å |
| α | 95.635 ± 0.006° |
| β | 103.483 ± 0.006° |
| γ | 110.434 ± 0.005° |
| Cell volume | 677.1 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1397 |
| Residual factor for significantly intense reflections | 0.1189 |
| Weighted residual factors for significantly intense reflections | 0.3796 |
| Weighted residual factors for all reflections included in the refinement | 0.3955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| 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. |
7132301.cif |
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