Information card for entry 4123316

Structure parameters

• Formula: C26 H20 F3 N O
• Calculated formula: C26 H20 F3 N O
• SMILES: C1(=O)C(c2c(c3c(c4c(c(ccc4)C)n13)c1ccccc1)cccc2)(C)CC(F)(F)F
• Title of publication: Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.
• Authors of publication: Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 2
• Pages of publication: 964 - 973
• a: 15.87898 ± 0.00018 Å
• b: 10.13462 ± 0.00011 Å
• c: 25.6111 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4121.53 ± 0.08 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No