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Information card for entry 4037198
Preview
| Coordinates | 4037198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N O2 |
|---|---|
| Calculated formula | C16 H15 N O2 |
| SMILES | N1(C(=O)c2ccccc2[C@@H]1Cc1ccccc1)OC |
| Title of publication | Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives. |
| Authors of publication | Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 17 |
| Pages of publication | 7931 - 7938 |
| a | 8.5662 ± 0.0004 Å |
| b | 10.7642 ± 0.0006 Å |
| c | 14.3417 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1322.42 ± 0.12 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0445 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0735 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235787 (current) | 2019-11-24 | cif/ Adding structures of 4037197, 4037198, 4037199 via cif-deposit CGI script. |
4037198.cif |
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Users of the data should acknowledge the original authors of the
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