Information card for entry 7040818

Structure parameters

• Formula: C22 H20 B F10 N
• Calculated formula: C22 H20 B F10 N
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B]1(CCC[N+](=CC1C)C(C)(C)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Intramolecular Lewis pairs with two acid sites - reactivity differences between P- and N-based systems.
• Authors of publication: Körte, Leif A; Blomeyer, Sebastian; Heidemeyer, Shari; Nissen, Jan Hendrick; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17319 - 17328
• a: 11.07264 ± 0.00012 Å
• b: 13.22848 ± 0.00014 Å
• c: 15.00959 ± 0.00018 Å
• α: 90°
• β: 104.188 ± 0.0012°
• γ: 90°
• Cell volume: 2131.45 ± 0.04 ų
• Cell temperature: 99.97 ± 0.14 K
• Ambient diffraction temperature: 99.97 ± 0.14 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: 0.0305
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No