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CIF Information Card
Information card for 2015279
2015278 << 2015279 >> 2015280Preview
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Coordinates |
2015279.cif |
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Structure factors |
2015279.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (RR,SS)/(RS,SR)-methyl 4-(2,4-chlorophenyl)-2,7-dimethyl- 5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Formula | - C19 H19 Cl2 N O3 - |
| Calculated formula | - C19 H19 Cl2 N O3 - |
| Title of publication | Cocrystals of diastereoisomers of 1,4-dihydropyridine derivatives |
| Authors of publication | Linden, Anthony; Gündüz, Miyase G.; Şimşek, Rahime; Şafak, Cihat |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o227 - o230 |
| a | 11.667 ± 0.0003 Å |
| b | 13.7746 ± 0.0004 Å |
| c | 11.8897 ± 0.0004 Å |
| α | 90° |
| β | 105.433 ± 0.0019° |
| γ | 90° |
| Cell volume | 1841.88 ± 0.1 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0706 |
| Residual factor for observed reflections | 0.0487 |
| Weighted residual factors for the observed reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for observed reflections | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |