Information card for entry 4515417

Structure parameters

• Formula: C31 H21 N3
• Calculated formula: C31 H21 N3
• SMILES: n1(c2ccccc2c2ccccc12)c1cccc2nc(n(c12)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: 9.793 ± 0.0007 Å
• b: 24.0523 ± 0.0014 Å
• c: 9.7846 ± 0.0006 Å
• α: 90°
• β: 102.466 ± 0.005°
• γ: 90°
• Cell volume: 2250.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No