Information card for entry 7236203
| Formula |
C26 H18 Cl N3 O |
| Calculated formula |
C26 H18 Cl N3 O |
| Title of publication |
Base-mediated synthesis of highly functionalized 2-aminonicotinonitriles from α-keto vinyl azides and α,α-dicyanoalkenes |
| Authors of publication |
Shu, Ke; Shao, Jiaan; Li, Hong; Chen, Binhui; Tang, Pai; Liu, Xingyu; Chen, Wenteng; Yu, Yongping |
| Journal of publication |
RSC Advances |
| Year of publication |
2016 |
| Journal volume |
6 |
| Journal issue |
54 |
| Pages of publication |
49123 |
| a |
12.1894 ± 0.0009 Å |
| b |
9.6526 ± 0.0007 Å |
| c |
20.0169 ± 0.0017 Å |
| α |
90° |
| β |
109.306 ± 0.006° |
| γ |
90° |
| Cell volume |
2222.7 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293.15 K |
| Number of distinct elements |
5 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0906 |
| Residual factor for significantly intense reflections |
0.0512 |
| Weighted residual factors for significantly intense reflections |
0.1103 |
| Weighted residual factors for all reflections included in the refinement |
0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.023 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7236203.html
