Information card for entry 4032971
| Formula |
C21 H14 Br N O3 |
| Calculated formula |
C21 H14 Br N O3 |
| SMILES |
Brc1ccc(N2C(c3c(cccc3)C2=O)c2ccc3OCOc3c2)cc1 |
| Title of publication |
Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts. |
| Authors of publication |
Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2017 |
| Journal volume |
82 |
| Journal issue |
20 |
| Pages of publication |
11084 - 11090 |
| a |
6.7473 ± 0.0014 Å |
| b |
11.771 ± 0.003 Å |
| c |
12.597 ± 0.003 Å |
| α |
62.242 ± 0.005° |
| β |
77.949 ± 0.006° |
| γ |
84.286 ± 0.006° |
| Cell volume |
865.8 ± 0.4 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0766 |
| Residual factor for significantly intense reflections |
0.0477 |
| Weighted residual factors for significantly intense reflections |
0.1414 |
| Weighted residual factors for all reflections included in the refinement |
0.1943 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.019 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4032971.html
