Information card for entry 7046224

Structure parameters

• Formula: C24 H17 B F2 N2
• Calculated formula: C24 H17 B F2 N2
• Title of publication: Boron-based donor-spiro-acceptor compounds exhibiting thermally activated delayed fluorescence (TADF).
• Authors of publication: Stanoppi, Marco; Lorbach, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10394 - 10398
• a: 9.058 ± 0.0006 Å
• b: 10.2042 ± 0.0007 Å
• c: 10.5865 ± 0.0007 Å
• α: 72.129 ± 0.005°
• β: 79.861 ± 0.005°
• γ: 78.732 ± 0.005°
• Cell volume: 906.25 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No