Information card for entry 7234642

Structure parameters

• Formula: C48 H34 N4 O
• Calculated formula: C48 H34 N4 O
• SMILES: Oc1c(c2nc(c(n2c2ccc(C(=C\c3ccc(N(c4ccccc4)c4ccccc4)cc3)\C#N)cc2)c2ccccc2)c2ccccc2)cccc1
• 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: 9.8096 ± 0.0014 Å
• b: 14.224 ± 0.002 Å
• c: 14.627 ± 0.002 Å
• α: 88.198 ± 0.002°
• β: 83.699 ± 0.002°
• γ: 71.647 ± 0.002°
• Cell volume: 1925.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1605
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2192
• Weighted residual factors for all reflections included in the refinement: 0.2577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No