Information card for entry 7012321

Structure parameters

• Formula: C26 H8 B F15 N2
• Calculated formula: C26 H8 B F15 N2
• SMILES: [n]1(cn(c2c1cccc2)C)[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: Tris(pentafluorophenyl)borane adducts of substituted imidazoles: conformational features and chemical behavior upon deprotonation
• Authors of publication: Vagedes, Dominik; Erker, Gerhard; Kehr, Gerald; Bergander, Klaus; Kataeva, Olga; Fröhlich, Roland; Grimme, Stefan; Mück-Lichtenfeld, Christian
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1337
• a: 9.949 ± 0.001 Å
• b: 15.245 ± 0.001 Å
• c: 16.698 ± 0.001 Å
• α: 90°
• β: 100.61 ± 0.01°
• γ: 90°
• Cell volume: 2489.3 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0921
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No