Information card for entry 7156193

Structure parameters

• Formula: C26 H24 N2 O3
• Calculated formula: C26 H24 N2 O3
• Title of publication: One-pot synthesis of 1,5-diketones from 3-acetyl-4-hydroxycoumarin and effective cyclization to unexpected 3,4-dihydropyridines.
• Authors of publication: Waheed, Mohd; Ahmed, Naseem; Alsharif, Meshari A.; Alahmdi, Mohammed Issa; Mukhtar, Sayeed
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3428 - 3437
• a: 8.0151 ± 0.0004 Å
• b: 11.4152 ± 0.0005 Å
• c: 12.798 ± 0.0006 Å
• α: 89.432 ± 0.003°
• β: 71.763 ± 0.003°
• γ: 86.136 ± 0.003°
• Cell volume: 1109.52 ± 0.09 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: 0.1632
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No