Information card for entry 7123516

Structure parameters

• Chemical name: cyclo-[B(C6F5)2N(C6H5)C(O)N(C6H5)C(C6F5)O]
• Formula: C32 H10 B F15 N2 O2
• Calculated formula: C32 H10 B F15 N2 O2
• Title of publication: Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid–base pair
• Authors of publication: Mehta, Meera; Goicoechea, Jose M.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.1684 ± 0.0003 Å
• b: 12.0068 ± 0.0003 Å
• c: 14.3299 ± 0.0004 Å
• α: 100.589 ± 0.002°
• β: 91.9 ± 0.002°
• γ: 105.332 ± 0.002°
• Cell volume: 1489.86 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No