Information card for entry 1575531

Structure parameters

• Formula: C17 H25 F3 O3
• Calculated formula: C17 H25 F3 O3
• Title of publication: Photomediated C-H trifluoromethoxylations enabled by bis(trifluoromethyl)peroxide.
• Authors of publication: Shakeri, Kamar; Kleoff, Merlin; Golz, Paul; Drews, Thomas; Weber, Manuela; Riedel, Sebastian; Christmann, Mathias
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 17921 - 17926
• a: 8.3909 ± 0.0001 Å
• b: 13.6555 ± 0.0001 Å
• c: 14.4806 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1659.22 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No