Information card for entry 4515416

Structure parameters

• Formula: C31 H21 N3
• Calculated formula: C31 H21 N3
• SMILES: n1(c2ccccc2c2ccccc12)c1cccc2n(c(nc12)c1ccccc1)c1ccccc1
• Title of publication: Construction of Highly Efficient Carbazol-9-yl-Substituted Benzimidazole Bipolar Hosts for Blue Phosphorescent Light-Emitting Diodes: Isomer and Device Performance Relationships.
• Authors of publication: Chang, Shu-Yun; Lin, Guan-Ting; Cheng, Yu-Chieh; Huang, Jau-Jiun; Chang, Chiou-Ling; Lin, Chi-Feng; Lee, Jiun-Haw; Chiu, Tien-Lung; Leung, Man-Kit
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 49
• Pages of publication: 42723 - 42732
• a: 9.1933 ± 0.0009 Å
• b: 10.5069 ± 0.0011 Å
• c: 12.6008 ± 0.0013 Å
• α: 93.697 ± 0.009°
• β: 110.643 ± 0.009°
• γ: 100.352 ± 0.009°
• Cell volume: 1109.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No