Information card for entry 7012322

Structure parameters

• Formula: C26 H23 B N2
• Calculated formula: C26 H23 B N2
• SMILES: [n]1(cn(c2c1cccc2)C)[B](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 20.155 ± 0.002 Å
• b: 14.4 ± 0.001 Å
• c: 17.119 ± 0.002 Å
• α: 90°
• β: 123.12 ± 0.01°
• γ: 90°
• Cell volume: 4161.2 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No