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CIF Information Card
Information card for 2015280
2015279 << 2015280 >> 2015281Preview
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Coordinates |
2015280.cif |
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Structure factors |
2015280.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (RR,SS)/(RS,SR)-methyl 4-(2,4-chlorophenyl)-2-methyl- 7-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate monohydrate |
| Formula | - C24 H23 Cl2 N O4 - |
| Calculated formula | - C24 H22.758 Cl2 N O4 - |
| 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 | 9.4543 ± 0.0005 Å |
| b | 9.7947 ± 0.0006 Å |
| c | 13.446 ± 0.0009 Å |
| α | 76.436 ± 0.003° |
| β | 89.268 ± 0.004° |
| γ | 69.471 ± 0.003° |
| Cell volume | 1130.23 ± 0.12 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0754 |
| Residual factor for observed reflections | 0.0533 |
| Weighted residual factors for the observed reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1498 |
| Goodness-of-fit parameter for observed reflections | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |