Information card for entry 4107215

Structure parameters

• Formula: C30 H23 B3 F20 N2
• Calculated formula: C30 H23 B3 F20 N2
• Title of publication: N-Directed Aliphatic C-H Borylation Using Borenium Cation Equivalents
• Authors of publication: Aleksandrs Prokofjevs; Edwin Vedejs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 20056 - 20059
• a: 10.3435 ± 0.0009 Å
• b: 12.4348 ± 0.0011 Å
• c: 13.7303 ± 0.0012 Å
• α: 76.7247 ± 0.0013°
• β: 81.6108 ± 0.0013°
• γ: 78.5633 ± 0.0013°
• Cell volume: 1675.3 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No