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Information card for entry 2243202
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| Coordinates | 2243202.cif |
|---|---|
| Structure factors | 2243202.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diethyl 2,6-dimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
|---|---|
| Formula | C17 H21 N O4 S |
| Calculated formula | C17 H21 N O4 S |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of diethyl 2,6-dimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Authors of publication | Vu Quoc, Trung; Tran Thi Thuy, Duong; Phung Ngoc, Thanh; Vu Quoc, Manh; Nguyen, Hien; Duong Khanh, Linh; Tu Quang, Anh; Van Meervelt, Luc |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 12 |
| Pages of publication | 1861 - 1865 |
| a | 15.6801 ± 0.0008 Å |
| b | 7.4311 ± 0.0003 Å |
| c | 15.5968 ± 0.0008 Å |
| α | 90° |
| β | 111.424 ± 0.006° |
| γ | 90° |
| Cell volume | 1691.77 ± 0.16 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.1761 |
| Weighted residual factors for all reflections included in the refinement | 0.1871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227945 (current) | 2019-11-16 | cif/ hkl/ Adding structures of 2243202 via cif-deposit CGI script. |
2243202.cif 2243202.hkl |
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Users of the data should acknowledge the original authors of the
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