Information card for entry 7124862

Structure parameters

• Formula: C36 H17 B2 F20 N
• Calculated formula: C36 H17 B2 F20 N
• Title of publication: Intramolecular cooperativity in frustrated Lewis pairs.
• Authors of publication: Körte, Leif A; Blomeyer, Sebastian; Heidemeyer, Shari; Mix, Andreas; Neumann, Beate; Mitzel, Norbert W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 64
• Pages of publication: 9949 - 9952
• a: 14.9491 ± 0.0003 Å
• b: 11.0572 ± 0.0003 Å
• c: 20.4604 ± 0.0004 Å
• α: 90°
• β: 102.897 ± 0.002°
• γ: 90°
• Cell volume: 3296.69 ± 0.13 ų
• Cell temperature: 99.97 ± 0.15 K
• Ambient diffraction temperature: 99.97 ± 0.15 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: 0.0478
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No