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Information card for entry 7224544
Preview
Coordinates | 7224544.cif |
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Original paper (by DOI) | HTML |
Chemical name | Diethyl 6-amino-4-(benzofuran-2-yl)-5-cyano-1-p-tolyl-1,4-dihydropyridine-2,3-dicarboxylate |
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Formula | C27 H25 N3 O5 |
Calculated formula | C27 H25 N3 O5 |
SMILES | o1c2c(cc1C1C(=C(N)N(C(=C1C(OCC)=O)C(=O)OCC)c1ccc(cc1)C)C#N)cccc2 |
Title of publication | Ultrasound mediated, green innovation for the synthesis of polysubstituted 1,4-dihydropyridines |
Authors of publication | PASHA, MOHAMED AFZAL; tabassum, sumaiya; govindaraju, santhosh; rahaman khan, riyaz ur |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 9.9491 ± 0.0003 Å |
b | 11.8834 ± 0.0004 Å |
c | 12.582 ± 0.0004 Å |
α | 112.932 ± 0.001° |
β | 99.264 ± 0.001° |
γ | 109.587 ± 0.001° |
Cell volume | 1215.64 ± 0.07 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0341 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0775 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/7224544.html
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Users of the data should acknowledge the original authors of the
structural data.