Information card for entry 4303535

Structure parameters

• Formula: C28 H8 B F15 N2
• Calculated formula: C28 H8 B F15 N2
• SMILES: [n]1([B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)ccccc1c1ncccc1
• Title of publication: From Classical Adducts to Frustrated Lewis Pairs: Steric Effects in the Interactions of Pyridines and B(C6F5)3
• Authors of publication: Stephen J. Geier; Austin L. Gille; Thomas M. Gilbert; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10466 - 10474
• a: 10.706 ± 0.002 Å
• b: 16.332 ± 0.003 Å
• c: 14.368 ± 0.003 Å
• α: 90°
• β: 91.27 ± 0.03°
• γ: 90°
• Cell volume: 2511.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No