Information card for entry 4029014
| Formula |
C10 H10 N2 O4 |
| Calculated formula |
C10 H10 N2 O4 |
| SMILES |
N#Cc1c(oc(c1C(=O)OC)C)C(=N)OC |
| Title of publication |
DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene). |
| Authors of publication |
Wang, Zheng-Lin; Li, Hong-Liang; Ge, Li-Shi; An, Xing-Lan; Zhang, Zi-Gang; Luo, Xiaoyan; Fossey, John S.; Deng, Wei-Ping |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2014 |
| Journal volume |
79 |
| Journal issue |
3 |
| Pages of publication |
1156 |
| a |
7.107 ± 0.002 Å |
| b |
7.758 ± 0.002 Å |
| c |
10.62 ± 0.003 Å |
| α |
75.924 ± 0.005° |
| β |
79.636 ± 0.006° |
| γ |
71.112 ± 0.006° |
| Cell volume |
534.1 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.0823 |
| Residual factor for significantly intense reflections |
0.069 |
| Weighted residual factors for significantly intense reflections |
0.1963 |
| Weighted residual factors for all reflections included in the refinement |
0.2092 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.08 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/4029014.html
