Information card for entry 8101980

Structure parameters

• Chemical name: (2,6-diisopropyl-phenyl)[N-(tris-pentafluorophenyl-boronyl)-pyridin-2-yl]amine
• Formula: C35 H22 B F15 N2
• Calculated formula: C35 H22 B F15 N2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[n]1ccccc1Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Crystal structure of (2,6-diisopropyl-phenyl)[N-tris(pentafluorophenyl)- boronyl-pyridin-2-yl]amine, (C~6~F~5~)~3~B(C~5~H~4~N)(C~12~H~18~N)
• Authors of publication: Noor, A.; Irrgang, T.; Kempe, R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 283 - 284
• a: 9.8 ± 0.001 Å
• b: 12.022 ± 0.001 Å
• c: 14.326 ± 0.001 Å
• α: 99.486 ± 0.005°
• β: 102.673 ± 0.005°
• γ: 94.591 ± 0.005°
• Cell volume: 1612.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0586
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No