Information card for entry 7160428

Structure parameters

• Formula: C68 H80 Cl4 F12 N4 O4
• Calculated formula: C68 H80 Cl4 F12 N4 O4
• Title of publication: Three-component Minisci reaction involving trifluoromethyl radicals promoted by TBHP.
• Authors of publication: Zhang, Xiaole; Wang, Wengui; Wang, Shoufeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 16
• Pages of publication: 3830 - 3835
• a: 8.563 ± 0.002 Å
• b: 17.298 ± 0.003 Å
• c: 11.84 ± 0.002 Å
• α: 90 ± 0.03°
• β: 92.17 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1752.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.104
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No