Information card for entry 1558274

Structure parameters

• Formula: C21 H28 B F4 N2 O2.5
• Calculated formula: C21 H28 B F4 N2 O2.5
• Title of publication: Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield
• Authors of publication: Turley, Andrew; Danos, Andrew; Prlj, Antonio; Monkman, Andrew P.; Curchod, Basile; McGonigal, Paul R.; Etherington, Marc Kenneth
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 8.0721 ± 0.0002 Å
• b: 15.6353 ± 0.0005 Å
• c: 16.4422 ± 0.0005 Å
• α: 90°
• β: 98.2832 ± 0.0014°
• γ: 90°
• Cell volume: 2053.52 ± 0.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No