Information card for entry 4024447

Structure parameters

• Formula: C24 H18 Cl N O
• Calculated formula: C24 H18 Cl N O
• Title of publication: Novel Regioselectivity: Three-Component Cascade Synthesis of Unsymmetrical 1,4- and 1,2-Dihydropyridines
• Authors of publication: Jie-Ping Wan; Shi-Feng Gan; Gong-Lei Sun; Yuan-Jiang Pan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2862 - 2865
• a: 10.75 ± 0.002 Å
• b: 13.323 ± 0.003 Å
• c: 13.796 ± 0.003 Å
• α: 90°
• β: 101.06 ± 0.03°
• γ: 90°
• Cell volume: 1939.1 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No