Information card for entry 7063774

Structure parameters

• Formula: C18 H12 F3 N O2
• Calculated formula: C18 H12 F3 N O2
• Title of publication: Photocatalytic Heck–Matsuda reaction: selective arylation of N-vinyl- and N-allyl-lactams using Pd2(dba)3
• Authors of publication: Chávez-Vega, Tomás; Galdámez, Antonio; Lühr, Susan; Vilches-Herrera, Marcelo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 9416 - 9420
• a: 5.053 ± 0.002 Å
• b: 10.6 ± 0.005 Å
• c: 14.685 ± 0.006 Å
• α: 106.032 ± 0.015°
• β: 95.71 ± 0.015°
• γ: 91.249 ± 0.016°
• Cell volume: 751.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1391
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2706
• Weighted residual factors for all reflections included in the refinement: 0.3154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No