Information card for entry 1571795

Structure parameters

• Formula: C43 H28
• Calculated formula: C43 H28
• SMILES: c1ccc(c2ccc(c3ccc(c4ccccc4)cc3)c3C4(c5c(c6ccccc46)cccc5)c4ccccc4c23)cc1
• 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: 10.0916 ± 0.0004 Å
• b: 10.7661 ± 0.0004 Å
• c: 13.935 ± 0.0005 Å
• α: 74.868 ± 0.001°
• β: 84.912 ± 0.001°
• γ: 78.065 ± 0.002°
• Cell volume: 1428.94 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0632
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1147
• 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