Information card for entry 7155628
| Formula |
C19 H15 N3 O4 |
| Calculated formula |
C19 H15 N3 O4 |
| SMILES |
O1c2ncnc(Nc3ccc(OC)cc3)c2c2cc(ccc12)C(=O)OC |
| Title of publication |
Biomass-involved synthesis of N-substituted benzofuro[2,3-d]pyrimidine-4-amines and biological evaluation as novel EGFR tyrosine kinase inhibitors |
| Authors of publication |
Zou, Yong; Sheng, Jianfei; Liu, Zhihong; Yan, Ming; Zhang, Xue-jing; Wang, Dejian; Xu, Jun; Zhang, Ensheng |
| Journal of publication |
Org. Biomol. Chem. |
| Year of publication |
2017 |
| a |
7.7171 ± 0.0004 Å |
| b |
10.6392 ± 0.0006 Å |
| c |
11.009 ± 0.0004 Å |
| α |
110.7 ± 0.005° |
| β |
100.085 ± 0.004° |
| γ |
101.913 ± 0.005° |
| Cell volume |
796.35 ± 0.08 Å3 |
| Cell temperature |
100 K |
| Ambient diffraction temperature |
100 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 |
0.0412 |
| Residual factor for significantly intense reflections |
0.0385 |
| Weighted residual factors for significantly intense reflections |
0.1025 |
| Weighted residual factors for all reflections included in the refinement |
0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0489 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7155628.html
