Information card for entry 1567896

Structure parameters

• Common name: tBuCzDBA
• Chemical name: 5,10-bis(4-(3,6-di-tert-butyl-9H-carbazol-9-yl)-2,6-dimethylphenyl)-5,10-diboranthrene
• Formula: C68 H72 B2 N2
• Calculated formula: C68 H72 B2 N2
• 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: 9.5981 ± 0.0005 Å
• b: 11.916 ± 0.0005 Å
• c: 25.0597 ± 0.0011 Å
• α: 85.521 ± 0.002°
• β: 89.469 ± 0.002°
• γ: 89.876 ± 0.002°
• Cell volume: 2857.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No