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Information card for entry 7216460
Preview
Coordinates | 7216460.cif |
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Original paper (by DOI) | HTML |
Chemical name | ethyl3-(4-bromophenyl)-2-cyano-6,6-dimethyl-4-oxo- 2,3,4,5,6,7-hexahydrobenzofuran-2-carboxylate |
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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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