Information card for entry 7224543

Structure parameters

• Chemical name: Diethyl 6-amino-4-(benzofuran-2-yl)-5-cyano-1-phenyl-1,4-dihydropyridine-2,3-dicarboxylate
• Formula: C26 H23 N3 O5
• Calculated formula: C26 H23 N3 O5
• SMILES: O(C(=O)C1=C(C(C(=C(N1c1ccccc1)N)C#N)c1oc2c(c1)cccc2)C(=O)OCC)CC
• Title of publication: Ultrasound mediated, green innovation for the synthesis of polysubstituted 1,4-dihydropyridines
• Authors of publication: PASHA, MOHAMED AFZAL; tabassum, sumaiya; govindaraju, santhosh; rahaman khan, riyaz ur
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.424 ± 0.0006 Å
• b: 21.2481 ± 0.0011 Å
• c: 11.2337 ± 0.0006 Å
• α: 90°
• β: 109.875 ± 0.002°
• γ: 90°
• Cell volume: 2340 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No