Information card for entry 7132192

Structure parameters

• Formula: C18 H9 F3 O2
• Calculated formula: C18 H9 F3 O2
• Title of publication: Enaminone-directed ruthenium(II)-catalyzed C–H activation and annulation of arenes with diazonaphthoquinones for polycyclic benzocoumarins
• Authors of publication: Mondal, Sudeshna; Giri, Chandan Kumar; Baidya, Mahiuddin
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 10.9295 ± 0.0009 Å
• b: 11.7939 ± 0.0009 Å
• c: 17.2156 ± 0.0013 Å
• α: 103.951 ± 0.003°
• β: 106.88 ± 0.003°
• γ: 91.212 ± 0.003°
• Cell volume: 2050.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2058
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.2837
• Weighted residual factors for all reflections included in the refinement: 0.3493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No