Information card for entry 4513733
| Formula |
C29 H21 N3 O2 |
| Calculated formula |
C29 H21 N3 O2 |
| SMILES |
n12c([nH]c3c1cccc3)c(N(C(=O)c1ccccc1)Cc1ccccc1)c1c(c2=O)cccc1 |
| Title of publication |
An Efficient and Facile Method for the Synthesis of Benzimidazoisoquinoline Derivatives via a Multicomponent Reaction. |
| Authors of publication |
Liao, Wen-Li; Li, Shi-Qiang; Wang, Jun; Zhang, Zhi-Yu; Yang, Zhi-Wei; Xu, Di; Xu, Chuan; Lan, Hai-Tao; Chen, Zhong-Zhu; Xu, Zhi-Gang |
| Journal of publication |
ACS combinatorial science |
| Year of publication |
2016 |
| Journal volume |
18 |
| Journal issue |
1 |
| Pages of publication |
65 - 69 |
| a |
10.1264 ± 0.0007 Å |
| b |
11.3087 ± 0.0007 Å |
| c |
11.5564 ± 0.0011 Å |
| α |
67.874 ± 0.007° |
| β |
65.23 ± 0.008° |
| γ |
83.135 ± 0.005° |
| Cell volume |
1112 ± 0.18 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293.15 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0839 |
| Residual factor for significantly intense reflections |
0.0446 |
| Weighted residual factors for significantly intense reflections |
0.0822 |
| Weighted residual factors for all reflections included in the refinement |
0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.983 |
| Diffraction radiation probe |
x-ray |
| 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/4513733.html
