Information card for entry 1529856
| Formula |
C29 H21 Br N2 O |
| Calculated formula |
C29 H21 Br N2 O |
| SMILES |
Brc1ccc(n2c(nc(c3ccccc3)c2C(=O)c2ccccc2)c2ccc(cc2)C)cc1 |
| Title of publication |
A Facile FeCl3/I2-Catalyzed Aerobic Oxidative Coupling Reaction: Synthesis of Tetrasubstituted Imidazoles from Amidines and Chalcones. |
| Authors of publication |
Zhu, Yuelu; Li, Cheng; Zhang, Jidong; She, Mengyao; Sun, Wei; Wan, Kerou; Wang, Yaqi; Yin, Bin; Liu, Ping; Li, Jianli |
| Journal of publication |
Organic letters |
| Year of publication |
2015 |
| Journal volume |
17 |
| Journal issue |
15 |
| Pages of publication |
3872 - 3875 |
| a |
9.724 ± 0.003 Å |
| b |
11.142 ± 0.003 Å |
| c |
12.91 ± 0.004 Å |
| α |
98.826 ± 0.005° |
| β |
103.604 ± 0.005° |
| γ |
112.844 ± 0.005° |
| Cell volume |
1205.2 ± 0.6 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 |
0.1502 |
| Residual factor for significantly intense reflections |
0.0613 |
| Weighted residual factors for significantly intense reflections |
0.1531 |
| Weighted residual factors for all reflections included in the refinement |
0.2146 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.997 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1529856.html
