Information card for entry 4122019

Structure parameters

• Formula: C41.59 H60.47 B11 Cl0.7 F Fe N2 O
• Calculated formula: C41.59 H60.475 B11 Cl0.705 F Fe N2 O
• Title of publication: Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.
• Authors of publication: Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 25
• Pages of publication: 8899 - 8902
• a: 14.8695 ± 0.0015 Å
• b: 15.973 ± 0.002 Å
• c: 37.274 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8853 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No