Information card for entry 1515660

Structure parameters

• Formula: C30 H26 B F10 N O
• Calculated formula: C30 H26 B F10 N O
• SMILES: [N+]1([C@@H]2[C@@H]([B](OCc3ccccc3)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)CCCC2)CCCCC=1.[N+]1([C@H]2[C@H]([B](OCc3ccccc3)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)CCCC2)CCCCC=1
• 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: 9.428 ± 0.0004 Å
• b: 11.0909 ± 0.0006 Å
• c: 14.6744 ± 0.0008 Å
• α: 108.637 ± 0.003°
• β: 96.263 ± 0.003°
• γ: 105.831 ± 0.002°
• Cell volume: 1366.01 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No