Information card for entry 7207500

Structure parameters

• Formula: C45 H33 Cl2 N
• Calculated formula: C45 H33 Cl2 N
• SMILES: n1(c2ccccc2c2ccccc12)c1ccc(cc1)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.C(Cl)Cl
• Title of publication: Using tetraphenylethene and carbazole to create efficient luminophores with aggregation-induced emission, high thermal stability, and good hole-transporting property
• Authors of publication: Zhao, Zujin; Chan, Carrie Y. K.; Chen, Shuming; Deng, Chunmei; Lam, Jacky W. Y.; Jim, Cathy K. W.; Hong, Yuning; Lu, Ping; Chang, Zhengfeng; Chen, Xiaopeng; Lu, Ping; Kwok, Hoi Sing; Qiu, Huayu; Tang, Ben Zhong
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 4527
• a: 21.295 ± 0.002 Å
• b: 16.3989 ± 0.0019 Å
• c: 9.7404 ± 0.0011 Å
• α: 90°
• β: 98.263 ± 0.002°
• γ: 90°
• Cell volume: 3366.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No