Information card for entry 7161200

Structure parameters

• Formula: C55 H63 F4 O4
• Calculated formula: C55 H56 F4 O4
• Title of publication: Temperature-Directed in situ Generation of Fluorobenzyl Radicals: Utilization for the Complete Fluorobenzylation of Tri-, and Tetramethylbenzenes
• Authors of publication: Bhedi, Dharmveer; Thirumoorthi, Ramalingam
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 8.9527 ± 0.0002 Å
• b: 12.9658 ± 0.0003 Å
• c: 39.4592 ± 0.0006 Å
• α: 90°
• β: 94.496 ± 0.002°
• γ: 90°
• Cell volume: 4566.29 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No