Information card for entry 1567481

Structure parameters

• Formula: C48 H30 B N3
• Calculated formula: C48 H30 B N3
• Title of publication: Dipole moment engineering enables universal B-N-embedded bipolar hosts for OLEDs: an old dog learns a new trick.
• Authors of publication: He, Shuang; Liu, Junjie; Yang, Ge; Bin, Zhengyang; You, Jingsong
• Journal of publication: Materials horizons
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 2818 - 2823
• a: 14.234 ± 0.002 Å
• b: 19.457 ± 0.003 Å
• c: 12.568 ± 0.002 Å
• α: 90°
• β: 100.195 ± 0.007°
• γ: 90°
• Cell volume: 3425.8 ± 0.9 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 K
• Number of distinct elements: 4
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No