Information card for entry 1557762

Structure parameters

• Formula: C35 H21 B F20 N2
• Calculated formula: C35 H21 B F20 N2
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.n1(c[n+](cc1)C(C)(C)C)C(C)(C)C
• Title of publication: SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes
• Authors of publication: Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 29
• Pages of publication: 7615 - 7618
• a: 8.40488 ± 0.00013 Å
• b: 18.0272 ± 0.0003 Å
• c: 11.0843 ± 0.00015 Å
• α: 90°
• β: 91.4773 ± 0.0013°
• γ: 90°
• Cell volume: 1678.9 ± 0.04 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No