Information card for entry 7128680

Structure parameters

• Formula: C20 H13 F3 O
• Calculated formula: C20 H13 F3 O
• Title of publication: Unexpected metal-free synthesis of trifluoromethyl arenes <i>via</i> tandem coupling of dicyanoalkenes and conjugated fluorinated sulfinyl imines.
• Authors of publication: Sanz-Vidal, Alvaro; Gaviña, Daniel; Sotorríos, Lia; Gómez-Bengoa, Enrique; López Ortiz, Fernando; Sánchez-Roselló, María; Del Pozo, Carlos
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 65
• Pages of publication: 8023 - 8026
• a: 18.5329 ± 0.0002 Å
• b: 17.6088 ± 0.0002 Å
• c: 9.477 ± 0.00011 Å
• α: 90°
• β: 102.175 ± 0.0012°
• γ: 90°
• Cell volume: 3023.18 ± 0.06 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No