Information card for entry 1557763

Structure parameters

• Formula: C52 H39 B Cl2 F20 N2
• Calculated formula: C52 H39 B Cl2 F20 N2
• 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: 12.4784 ± 0.0002 Å
• b: 12.6328 ± 0.0003 Å
• c: 17.6483 ± 0.0005 Å
• α: 69.366 ± 0.002°
• β: 84.7909 ± 0.0018°
• γ: 78.9069 ± 0.0016°
• Cell volume: 2554.12 ± 0.11 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 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: 0.054
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No