Information card for entry 7128917

Structure parameters

• Formula: C21 H18 B F N4 O
• Calculated formula: C21 H18 B F N4 O
• Title of publication: A strongly Lewis-acidic and fluorescent borenium cation supported by a tridentate formazanate ligand
• Authors of publication: Katzman, Benjamin D.; Maar, Ryan R.; Cappello, Daniela; Sattler, Madeleine O.; Boyle, Paul D.; Staroverov, Viktor N.; Gilroy, Joe B.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 9.0367 ± 0.001 Å
• b: 13.9481 ± 0.0014 Å
• c: 14.746 ± 0.002 Å
• α: 90°
• β: 105.215 ± 0.005°
• γ: 90°
• Cell volume: 1793.5 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No