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Information card for entry 1556898
Preview
| Coordinates | 1556898.cif |
|---|---|
| Structure factors | 1556898.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate |
|---|---|
| Formula | C29 H26 Cl N O4 |
| Calculated formula | C29 H26 Cl N O4 |
| SMILES | c1ccccc1C1=C(C(=O)OCC)C(c2cccc(c2)Cl)C(=C(c2ccccc2)N1)C(=O)OCC |
| Title of publication | Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Authors of publication | Ameen, K. K. Mohammed; Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B. |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 12 |
| Pages of publication | x191644 |
| a | 10.519 ± 0.005 Å |
| b | 22.059 ± 0.005 Å |
| c | 11.246 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 97.867 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2584.9 ± 1.8 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.1133 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1619 |
| Weighted residual factors for all reflections included in the refinement | 0.1919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246426 (current) | 2020-01-01 | cif/ hkl/ Adding structures of 1556898 via cif-deposit CGI script. |
1556898.cif 1556898.hkl |
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Users of the data should acknowledge the original authors of the
structural data.