Information card for entry 7152646

Structure parameters

• Formula: C23 H22 F N3 O2
• Calculated formula: C23 H22 F N3 O2
• SMILES: NC1=C([C@H]([C@@H](/C(=C\C(=O)OCC)N1c1ccccc1)C)c1ccc(F)cc1)C#N.NC1=C([C@@H]([C@H](/C(=C\C(=O)OCC)N1c1ccccc1)C)c1ccc(F)cc1)C#N
• Title of publication: A facile four component protocol for the synthesis of dihydropyridine derivatives.
• Authors of publication: Nair, Vijay; Jose, Anu; Lakshmi, K. C. Seetha; Rajan, Rejithamol; Suresh, Eringathodi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 38
• Pages of publication: 7747 - 7752
• a: 11.966 ± 0.002 Å
• b: 10.7644 ± 0.0019 Å
• c: 17.134 ± 0.003 Å
• α: 90°
• β: 107.503 ± 0.003°
• γ: 90°
• Cell volume: 2104.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.343
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No