Information card for entry 7046226

Structure parameters

• Formula: C41.5 H46 B Cl N2
• Calculated formula: C41.5 H46 B Cl 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: 7.766 ± 0.0004 Å
• b: 13.7779 ± 0.0007 Å
• c: 17.7144 ± 0.0009 Å
• α: 70.971 ± 0.004°
• β: 82.959 ± 0.004°
• γ: 89.145 ± 0.004°
• Cell volume: 1777.7 ± 0.16 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: 0.0766
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No