Information card for entry 4123315

Structure parameters

• Formula: C27 H24 F3 N O
• Calculated formula: C27 H24 F3 N O
• SMILES: C1(=O)C(c2c(/C(=C(\c3ccccc3)c3c(cccc3C)C)N1)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: 8.8663 ± 0.0004 Å
• b: 11.0225 ± 0.0004 Å
• c: 11.7447 ± 0.0004 Å
• α: 94.958 ± 0.003°
• β: 96.264 ± 0.003°
• γ: 108.345 ± 0.004°
• Cell volume: 1074.05 ± 0.08 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No