Information card for entry 1572536

Structure parameters

• Formula: C53 H42 N2
• Calculated formula: C53 H42 N2
• SMILES: N(c1ccc(C)cc1)(c1cc2c3cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc3C3(c2cc1)c1ccccc1c1c3cccc1)c1ccc(C)cc1
• Title of publication: Spirobifluorene-based hole-transporting materials for RGB OLEDs with high efficiency and low efficiency roll-off.
• Authors of publication: Li, Qian; Guo, Yusong; Lan, Jingbo; Yang, Yudong; Wu, Di; Bin, Zhengyang
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 39
• Pages of publication: 16096 - 16102
• a: 19.1121 ± 0.0013 Å
• b: 13.8417 ± 0.0009 Å
• c: 30.0202 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7941.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No