Information card for entry 4515418

Structure parameters

• Formula: C32.25 H24.5 Cl0.5 N3 O0.5
• Calculated formula: C32.25 H24.5 Cl0.5 N3 O0.5
• 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: 9.122 ± 0.0004 Å
• b: 16.7661 ± 0.001 Å
• c: 32.4618 ± 0.0016 Å
• α: 90°
• β: 91.796 ± 0.005°
• γ: 90°
• Cell volume: 4962.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1526
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No