Information card for entry 1567894

Structure parameters

• Common name: CzDBA
• Chemical name: 9,10-bis(4-(9H-carbazol-9-yl)-2,6-dimethylphenyl)-9,10-diboraanthracene
• Formula: C52 H40 B2 N2
• Calculated formula: C52 H40 B2 N2
• SMILES: B1(c2c(B(c3c(cc(n4c5ccccc5c5ccccc45)cc3C)C)c3c1cccc3)cccc2)c1c(cc(n2c3ccccc3c3ccccc23)cc1C)C
• Title of publication: Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.
• Authors of publication: Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 44
• Pages of publication: 12996 - 13005
• a: 26.1224 ± 0.0008 Å
• b: 8.3077 ± 0.0003 Å
• c: 18.9832 ± 0.0006 Å
• α: 90°
• β: 106.476 ± 0.002°
• γ: 90°
• Cell volume: 3950.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No