Information card for entry 1515658

Structure parameters

• Formula: C23 H22 B F10 N
• Calculated formula: C23 H22 B F10 N
• SMILES: [NH+]1([C@@H]2[C@@H]([BH](c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)CCCC2)CCCCC1.[NH+]1([C@H]2[C@H]([BH](c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)CCCC2)CCCCC1
• 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: 12.1379 ± 0.0004 Å
• b: 14.0463 ± 0.0005 Å
• c: 13.5423 ± 0.0005 Å
• α: 90°
• β: 105.934 ± 0.002°
• γ: 90°
• Cell volume: 2220.15 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No