Information card for entry 7135044

Structure parameters

• Formula: C19 H14 F3 N O
• Calculated formula: C19 H14 F3 N O
• Title of publication: Ru(II)-catalysed, inherent-directing-group-enabled site-selective C-H vinyl trifluoromethylation of isoquinolones and benzamides.
• Authors of publication: Sachin, ?; Sharma, Tamanna; Rav, Shourabh; Sharma, Upendra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 89
• Pages of publication: 17416 - 17419
• a: 8.33 ± 0.0008 Å
• b: 17.1545 ± 0.0014 Å
• c: 11.1957 ± 0.0009 Å
• α: 90°
• β: 97.513 ± 0.004°
• γ: 90°
• Cell volume: 1586.1 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No