Information card for entry 1571796

Structure parameters

• Formula: C49 H32
• Calculated formula: C49 H32
• Title of publication: Crafting 1,4-diaryl spirobifluorene hosts in OLEDs <i>via</i> interannular C-H arylation: synergistic effects of molecular linearity and orthogonality.
• Authors of publication: Li, Qian; Yu, Zhiqian; Liu, Qianhui; Guo, Yusong; Fu, Zhangyi; Yang, Yudong; Bin, Zhengyang; Wu, Di; Lan, Jingbo
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 27
• Pages of publication: 10547 - 10555
• a: 10.5749 ± 0.0004 Å
• b: 12.4865 ± 0.0005 Å
• c: 12.8313 ± 0.0005 Å
• α: 90.401 ± 0.001°
• β: 90.147 ± 0.001°
• γ: 99.575 ± 0.001°
• Cell volume: 1670.63 ± 0.11 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No