Information card for entry 4514558

Structure parameters

• Formula: C37 H29 N3
• Calculated formula: C37 H29 N3
• SMILES: c12c(C(C)(c3c(N2c2ccc(c4cc(cc(c4)c4cccnc4)c4cccnc4)cc2)cccc3)C)cccc1
• Title of publication: Universal Bipolar Host Materials for Blue, Green, and Red Phosphorescent OLEDs with Excellent Efficiencies and Small-Efficiency Roll-Off.
• Authors of publication: Hu, Shimin; Zeng, Jiajie; Zhu, Xiangyu; Guo, Jingjing; Chen, Shuming; Zhao, Zujin; Tang, Ben Zhong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 30
• Pages of publication: 27134 - 27144
• a: 10.5987 ± 0.0002 Å
• b: 19.9171 ± 0.0004 Å
• c: 12.7408 ± 0.0003 Å
• α: 90°
• β: 102.209 ± 0.002°
• γ: 90°
• Cell volume: 2628.69 ± 0.1 ų
• Cell temperature: 100 ± 0.6 K
• Ambient diffraction temperature: 100 ± 0.6 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No