Information card for entry 1542646

Structure parameters

• Formula: C43 H28 N4
• Calculated formula: C43 H28 N4
• SMILES: n1c2ccccc2n(c2ccccc2)c1c1c(n2c3ccccc3c3ccccc23)cccc1n1c2ccccc2c2ccccc12
• Title of publication: Orthogonally Substituted Benzimidazole-Carbazole Benzene As Universal Hosts for Phosphorescent Organic Light-Emitting Diodes.
• Authors of publication: Huang, Jau-Jiun; Hung, Yu-Hsiang; Ting, Pei-Ling; Tsai, Yu-Ning; Gao, Huan-Jie; Chiu, Tien-Lung; Lee, Jiun-Haw; Chen, Chi-Lin; Chou, Pi-Tai; Leung, Man-Kit
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 672 - 675
• a: 11.523 ± 0.0005 Å
• b: 16.7116 ± 0.0006 Å
• c: 17.0577 ± 0.0008 Å
• α: 90°
• β: 106.759 ± 0.005°
• γ: 90°
• Cell volume: 3145.2 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No