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Information card for entry 2244193
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| Coordinates | 2244193.cif |
|---|---|
| Structure factors | 2244193.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
|---|---|
| Formula | C22 H27 N O4 |
| Calculated formula | C22 H27 N O4 |
| Title of publication | Synthesis, crystal structures, and Hirshfeld analysis of three hexahydroquinoline derivatives |
| Authors of publication | Steiger, Scott A.; Li, Chun; Oliver, Allen G.; Natale, Nicholas R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 11 |
| a | 15.3492 ± 0.0015 Å |
| b | 14.0314 ± 0.0014 Å |
| c | 18.3862 ± 0.0018 Å |
| α | 90° |
| β | 90.0834 ± 0.0017° |
| γ | 90° |
| Cell volume | 3959.8 ± 0.7 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| 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 | 0.0479 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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