Information card for entry 4119155

Structure parameters

• Formula: C18 H15 F
• Calculated formula: C18 H15 F
• SMILES: Fc1ccc(cc1)[C@@H](C)c1ccc2ccccc2c1
• Title of publication: Nickel-Catalyzed Cross Couplings of Benzylic Ammonium Salts and Boronic Acids: Stereospecific Formation of Diarylethanes via C-N Bond Activation
• Authors of publication: Prantik Maity; Danielle M. Shacklady-McAtee; Glenn P. A. Yap; Eric R. Sirianni; Mary P. Watson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 280 - 285
• a: 5.9054 ± 0.0001 Å
• b: 16.73 ± 0.0003 Å
• c: 13.3212 ± 0.0002 Å
• α: 90°
• β: 96.165 ± 0.001°
• γ: 90°
• Cell volume: 1308.49 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No