Information card for entry 7216460
| Chemical name |
ethyl3-(4-bromophenyl)-2-cyano-6,6-dimethyl-4-oxo- 2,3,4,5,6,7-hexahydrobenzofuran-2-carboxylate |
| Formula |
C20 H20 Br N O4 |
| Calculated formula |
C20 H20 Br N O4 |
| Title of publication |
Group-assisted purification (GAP) chemistry for dihydrofurans: water as a medium for catalyst free synthesis in a one pot four component reaction |
| Authors of publication |
Chennapuram, Madhu; Emmadi, Narender Reddy; Bingi, Chiranjeevi; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah |
| Journal of publication |
Green Chemistry |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
6 |
| Pages of publication |
3237 |
| a |
10.7001 ± 0.0008 Å |
| b |
11.3758 ± 0.0008 Å |
| c |
17.0795 ± 0.0012 Å |
| α |
90° |
| β |
103.62 ± 0.001° |
| γ |
90° |
| Cell volume |
2020.5 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0568 |
| Residual factor for significantly intense reflections |
0.043 |
| Weighted residual factors for significantly intense reflections |
0.1097 |
| Weighted residual factors for all reflections included in the refinement |
0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.027 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7216460.html
