Information card for entry 4132385

Structure parameters

• Formula: C19 H6 B F11
• Calculated formula: C19 H6 B F11
• SMILES: Fc1c(c(F)c(F)cc1F)B(c1c(F)c(F)cc(F)c1F)c1c(C(F)(F)F)cccc1
• Title of publication: Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H₂.
• Authors of publication: Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 23
• Pages of publication: 7292 - 7300
• a: 10.34417 ± 0.00019 Å
• b: 16.5497 ± 0.0003 Å
• c: 21.0086 ± 0.0004 Å
• α: 90°
• β: 105.661 ± 0.0008°
• γ: 90°
• Cell volume: 3463.01 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No