Information card for entry 7224544

Structure parameters

• Chemical name: Diethyl 6-amino-4-(benzofuran-2-yl)-5-cyano-1-p-tolyl-1,4-dihydropyridine-2,3-dicarboxylate
• Formula: C27 H25 N3 O5
• Calculated formula: C27 H25 N3 O5
• SMILES: o1c2c(cc1C1C(=C(N)N(C(=C1C(OCC)=O)C(=O)OCC)c1ccc(cc1)C)C#N)cccc2
• 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: 9.9491 ± 0.0003 Å
• b: 11.8834 ± 0.0004 Å
• c: 12.582 ± 0.0004 Å
• α: 112.932 ± 0.001°
• β: 99.264 ± 0.001°
• γ: 109.587 ± 0.001°
• Cell volume: 1215.64 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No