Information card for entry 4029842
| Formula |
C23 H18 N4 |
| Calculated formula |
C23 H18 N4 |
| SMILES |
c1(c(cc(c(c1)C(c1ccccc1)(Cc1cccn1C)C)C#N)C#N)C#N |
| Title of publication |
A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles. |
| Authors of publication |
Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2014 |
| Journal volume |
79 |
| Journal issue |
16 |
| Pages of publication |
7572 - 7582 |
| a |
7.943 ± 0.002 Å |
| b |
10.527 ± 0.003 Å |
| c |
11.702 ± 0.004 Å |
| α |
84.179 ± 0.004° |
| β |
86.21 ± 0.004° |
| γ |
79.569 ± 0.004° |
| Cell volume |
956.2 ± 0.5 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1043 |
| Residual factor for significantly intense reflections |
0.0522 |
| Weighted residual factors for significantly intense reflections |
0.117 |
| Weighted residual factors for all reflections included in the refinement |
0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.999 |
| 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/4029842.html
