Information card for entry 1575588

Structure parameters

• Formula: C3.79 H2.97 B0.07 N0.14 O0.07
• Calculated formula: C3.7931 H2.96552 B0.0689655 N0.137931 O0.0689655
• Title of publication: Peripherally fused spiro structures enable the development of narrowband TADF emitters for highly efficient blue OLEDs.
• Authors of publication: Li, Deli; Liu, Denghui; Li, Mengke; Liu, Qingchao; Liu, Wei; Li, Wei; Su, Shi-Jian; Jiang, Xuchuan
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 18332 - 18340
• a: 28.49936 ± 0.00019 Å
• b: 9.31608 ± 0.00007 Å
• c: 15.74192 ± 0.00012 Å
• α: 90°
• β: 95.0936 ± 0.0007°
• γ: 90°
• Cell volume: 4163.01 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No