Information card for entry 7111739

Structure parameters

• Formula: C30 H8 B F15 N2
• Calculated formula: C30 H8 B F15 N2
• SMILES: [n]1(cccc2ccc3cccnc3c12)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Metal-free reductions of N-heterocycles via Lewis acid catalyzed hydrogenation
• Authors of publication: Geier, Stephen J.; Chase, Preston A.; Stephan, Douglas W.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 27
• Pages of publication: 4884 - 4886
• a: 12.4522 ± 0.001 Å
• b: 12.8361 ± 0.001 Å
• c: 16.6764 ± 0.0013 Å
• α: 79.106 ± 0.004°
• β: 79.436 ± 0.004°
• γ: 85.941 ± 0.004°
• Cell volume: 2571.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No