Information card for entry 7234250

Structure parameters

• Common name: 4TPAE
• Chemical name: 4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrakis(N,N-diphenylaniline)
• Formula: C74 H56 N4
• Calculated formula: C74 H56 N4
• SMILES: N(c1ccc(C(=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1
• Title of publication: Rational bridging affording luminogen with AIE features and high field effect mobility
• Authors of publication: Lifang Zhao; Yiliu Lin; Tong Liu; Hongxiang Li; Yu Xiong; Wang Zhang Yuan; Herman H.-Y. Sung; Ian D. Williams; Yongming Zhang; Ben Zhong Tang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 4903 - 4909
• a: 10.644 ± 0.0018 Å
• b: 14.262 ± 0.004 Å
• c: 18.828 ± 0.003 Å
• α: 94.179 ± 0.017°
• β: 95.469 ± 0.014°
• γ: 108.415 ± 0.019°
• Cell volume: 2683.4 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.216
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No