Information card for entry 7237901

Structure parameters

• Formula: C58 H38 N4
• Calculated formula: C58 H38 N4
• Title of publication: Tetraphenylpyrazine decorated 1,3-di(9H-carbazol-9-yl)benzene (mCP): a new AIE-active host with enhanced performance in organic light-emitting diodes
• Authors of publication: Guo, Jiali; Pan, Lingxiang; Song, Bo; Gu, Jiabao; Zeng, Jiajie; Xu, Xiaotian; Wu, Haozhong; Zhao, Zujin; Wang, Zhiming; Qin, Anjun; Tang, Ben Zhong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 36
• Pages of publication: 11160
• a: 10.9309 ± 0.0008 Å
• b: 12.5803 ± 0.0008 Å
• c: 17.3146 ± 0.0013 Å
• α: 70.062 ± 0.006°
• β: 75.532 ± 0.006°
• γ: 78.116 ± 0.006°
• Cell volume: 2148.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No