Information card for entry 7234641

Structure parameters

• Formula: C52 H43 N5
• Calculated formula: C52 H43 N5
• SMILES: n1(c2ccc(cc2)/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C#N)c(nc(c1c1ccccc1)c1ccccc1)c1ccc(cc1)N(CC)CC
• Title of publication: Aggregation-induced emission enhancement and mechanofluorochromic properties of alpha-cyanostilbene functionalized tetraphenyl imidazole derivatives
• Authors of publication: Yuyang Zhang; Huifang Li; Gaobin Zhang; Xianyun Xu; Lin Kong; Xutang Tao; Yupeng Tian; Jiaxiang Yang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 2971 - 2978
• a: 14.689 ± 0.005 Å
• b: 18.897 ± 0.005 Å
• c: 15.282 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.117 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4199 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1589
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No