Information card for entry 2202831

Structure parameters

• Chemical name: Diethyl (2'R,4R,4'R)-2-(4'-ethoxycarbonyl-2'-thiazolidinyl)-6-methyl-4-(2''-thienyl)- 1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C22 H28 N2 O6 S2
• Calculated formula: C22 H28 N2 O6 S2
• SMILES: CCOC(=O)[C@@H]1CS[C@@H](N1)C1=C(C(=O)OCC)[C@@H](C(=C(N1)C)C(=O)OCC)c1cccs1
• Title of publication: Diethyl (2'<i>R</i>,4<i>R</i>,4'<i>R</i>)-2-(4'-ethoxycarbonyl-2'-thiazolidinyl)-6-methyl-4-(2''-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1964 - o1966
• a: 10.347 ± 0.002 Å
• b: 9.3127 ± 0.0019 Å
• c: 13.16 ± 0.003 Å
• α: 90°
• β: 107.53 ± 0.03°
• γ: 90°
• Cell volume: 1209.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes