Information card for entry 4030332
| Formula |
C20 H15 N3 O |
| Calculated formula |
C20 H15 N3 O |
| SMILES |
O=c1n(Nc2ccccc2)c(nc2c1cccc2)c1ccccc1 |
| Title of publication |
Palladium-Catalyzed Cascade Reaction of 2-Amino-N'-arylbenzohydrazides with Triethyl Orthobenzoates To Construct Indazolo[3,2-b]quinazolinones. |
| Authors of publication |
Yang, Weiguang; Qiao, Rui; Chen, Jiuxi; Huang, Xiaobo; Liu, Miaochang; Gao, Wenxia; Ding, Jinchang; Wu, Huayue |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2014 |
| Journal volume |
80 |
| Journal issue |
1 |
| Pages of publication |
482 |
| a |
9.0361 ± 0.0018 Å |
| b |
9.7342 ± 0.0019 Å |
| c |
10.511 ± 0.002 Å |
| α |
83.842 ± 0.004° |
| β |
69.579 ± 0.004° |
| γ |
68.224 ± 0.004° |
| Cell volume |
804.3 ± 0.3 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 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 |
0.0722 |
| Residual factor for significantly intense reflections |
0.049 |
| Weighted residual factors for significantly intense reflections |
0.1564 |
| Weighted residual factors for all reflections included in the refinement |
0.1906 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.094 |
| 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/4030332.html
