Information card for entry 7118175

Structure parameters

• Formula: C15 H12 F2
• Calculated formula: C15 H12 F2
• SMILES: FC1(F)C(c2ccccc2)(c2ccccc2)C1
• Title of publication: Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism
• Authors of publication: Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 202
• a: 24.87 ± 0.015 Å
• b: 5.944 ± 0.004 Å
• c: 16.266 ± 0.01 Å
• α: 90°
• β: 107.995 ± 0.007°
• γ: 90°
• Cell volume: 2287 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No