Information card for entry 7130036

Structure parameters

• Formula: C10 H8 B F3 K N O
• Calculated formula: C10 H8 B F3 K N O
• Title of publication: Phosphine-catalyzed hydroboration of propiolonitriles: access to (<i>E</i>)-1,2-vinylcyanotrifluoroborate derivatives.
• Authors of publication: Bowen, Johnathan; Slebodnick, Carla; Santos, Webster L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• a: 18.55436 ± 0.00011 Å
• b: 7.9014 ± 0.00004 Å
• c: 8.22574 ± 0.00005 Å
• α: 90°
• β: 102.676 ± 0.0006°
• γ: 90°
• Cell volume: 1176.55 ± 0.012 ų
• Cell temperature: 99.98 ± 0.11 K
• Ambient diffraction temperature: 99.98 ± 0.11 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No