Information card for entry 1515651

Structure parameters

• Formula: C24 H18 B F10 N
• Calculated formula: C24 H18 B F10 N
• SMILES: [N]1([B](CC1c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(CC)CC
• Title of publication: Intramolecular frustrated N/B lewis pairs by enamine hydroboration
• Authors of publication: Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 1842
• a: 22.3613 ± 0.0006 Å
• b: 22.3613 ± 0.0006 Å
• c: 8.7343 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4367.4 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No