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Information card for entry 4037624
Preview
| Coordinates | 4037624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 Br N2 O3 S |
|---|---|
| Calculated formula | C24 H21 Br N2 O3 S |
| SMILES | Brc1ccc(C2(NC(=O)c3c2cccc3)CC(=O)Nc2ccccc2)cc1.S(=O)(C)C |
| Title of publication | BF3·OEt2 Catalyzed Vinyl Azides Addition to in situ Generated N-Acyl Iminium Salts: Synthesis of 3-Oxoisoindoline-1-acetamides. |
| Authors of publication | Das, Deb K.; Kannaujiya, Vinod Kumar; Sadhu, Milon Mohan; Ray, Sumit Kumar; Singh, Vinod K. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| a | 12.066 ± 0.003 Å |
| b | 10.127 ± 0.003 Å |
| c | 18.528 ± 0.005 Å |
| α | 90° |
| β | 90.135 ± 0.018° |
| γ | 90° |
| Cell volume | 2264 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0861 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243802 (current) | 2019-11-28 | cif/ Adding structures of 4037624 via cif-deposit CGI script. |
4037624.cif |
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Users of the data should acknowledge the original authors of the
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