Information card for entry 2207215

Structure parameters

• Chemical name: Diethyl 2,6-dimethyl-4-[5-(4-nitrophenyl)-2-furyl]-1,4-dihydropyridine-3,5- dicarboxylate
• Formula: C23 H24 N2 O7
• Calculated formula: C23 H24 N2 O7
• SMILES: C1(=C(C(C(=C(C)N1)C(=O)OCC)c1ccc(c2ccc(cc2)N(=O)=O)o1)C(=O)OCC)C
• Title of publication: Diethyl 2,6-dimethyl-4-[5-(4-nitrophenyl)-2-furyl]-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Vrábel, Viktor; Fronc, Marek; Svoboda, Ingrid; Marchalín, Štefan; Baumlová, Barbora
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3592 - o3594
• a: 12.94 ± 0.002 Å
• b: 8.143 ± 0.001 Å
• c: 20.114 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2119.4 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes