Information card for entry 7017985

Structure parameters

• Formula: C18 H9 B F10 N2
• Calculated formula: C18 H9 B F10 N2
• SMILES: Fc1c(F)c(F)c([BH]([NH]=c2[nH]c(ccc2)C)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
• Title of publication: Reactions of substituted pyridines with electrophilic boranes.
• Authors of publication: Caputo, Christopher B.; Geier, Stephen J.; Winkelhaus, Daniel; Mitzel, Norbert W.; Vukotic, V. Nicolas; Loeb, Stephen J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2131 - 2139
• a: 8.4351 ± 0.0016 Å
• b: 10.315 ± 0.0019 Å
• c: 10.496 ± 0.002 Å
• α: 100.424 ± 0.009°
• β: 91.554 ± 0.009°
• γ: 109.413 ± 0.008°
• Cell volume: 843.3 ± 0.3 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: 0.0659
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No