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Information card for entry 7160372
Preview
| Coordinates | 7160372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14 Br F N2 O4 |
|---|---|
| Calculated formula | C17 H14 Br F N2 O4 |
| Title of publication | Palladium(II)/Lewis acid catalyzed oxidative olefination of 2-benzamidopyridine 1-oxide with acrylates: synthesis of isoindolinones. |
| Authors of publication | Patel, Dharmik M.; Patel, Raj N.; Rathod, Nileshkumar B.; Patel, Sachinkumar D.; Thakur, Dinesh G.; Sonawane, Mahesh A.; Ghosh, Subhash Chandra |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 11 |
| Pages of publication | 2697 - 2703 |
| a | 8.94 ± 0.0005 Å |
| b | 9.2953 ± 0.0005 Å |
| c | 11.9582 ± 0.0007 Å |
| α | 84.896 ± 0.002° |
| β | 72.675 ± 0.002° |
| γ | 61.415 ± 0.002° |
| Cell volume | 831.31 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0657 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299133 (current) | 2025-04-05 | cif/ Updating files of 7160371, 7160372 Original log message: Adding full bibliography for 7160371--7160372.cif. |
7160372.cif |
| 297675 | 2025-02-11 | cif/ Adding structures of 7160371, 7160372 via cif-deposit CGI script. |
7160372.cif |
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Users of the data should acknowledge the original authors of the
structural data.