Information card for entry 7204218

Structure parameters

• Formula: C15 H17 N O5
• Calculated formula: C15 H17 N O5
• SMILES: O(C(=O)/C(=C\c1c(N(=O)=O)cccc1)C(=O)C)C(C)(C)C
• Title of publication: Solvent-free, two-step synthesis of some unsymmetrical 4-aryl-1,4-dihydropyridines
• Authors of publication: Correa, Waldo H.; Scott, Janet L.
• Journal of publication: Green Chemistry
• Year of publication: 2001
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 296 - 301
• a: 9.1435 ± 0.0002 Å
• b: 27.8109 ± 0.0003 Å
• c: 5.8488 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1487.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No