Information card for entry 7208824

Structure parameters

• Formula: C37 H22 O
• Calculated formula: C37 H22 O
• SMILES: o1c2c(c3cc4c(c5c(cccc5)C54c4c(c6ccccc56)cccc4)cc3)cccc2c2c1cccc2
• Title of publication: New dibenzofuran/spirobifluorene hybrids as thermally stable host materials for efficient phosphorescent organic light-emitting diodes with low efficiency roll-off.
• Authors of publication: Dong, Shou-Cheng; Gao, Chun-Hong; Zhang, Zhao-Hu; Jiang, Zuo-Quan; Lee, Shuit-Tong; Liao, Liang-Sheng
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 41
• Pages of publication: 14224 - 14228
• a: 9.993 ± 0.0006 Å
• b: 9.7316 ± 0.0004 Å
• c: 25.6891 ± 0.0012 Å
• α: 90°
• β: 93.021 ± 0.004°
• γ: 90°
• Cell volume: 2494.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No