Information card for entry 7121236

Structure parameters

• Formula: C24 H18 F2 N2
• Calculated formula: C24 H18 F2 N2
• SMILES: Fc1ccc([C@H]([C@@H](c2ccc(F)cc2)c2ncccc2)c2ncccc2)cc1.Fc1ccc([C@@H]([C@H](c2ccc(F)cc2)c2ncccc2)c2ncccc2)cc1
• Title of publication: Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.
• Authors of publication: Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 2228 - 2231
• a: 14.1238 ± 0.0003 Å
• b: 8.54517 ± 0.00018 Å
• c: 15.8226 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1909.63 ± 0.07 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2666
• Weighted residual factors for all reflections included in the refinement: 0.317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No