Information card for entry 7230066

Structure parameters

• Formula: C56 H38 N4
• Calculated formula: C56 H38 N4
• SMILES: n1(c(nc(c1c1ccccc1)c1ccccc1)c1c2c(cc3c1cccc3)cccc2)c1ccc(cc1)/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C#N
• Title of publication: Two novel AIEE-active imidazole/ α-cyanostilbene derivatives: photophysical properties, reversible fluorescence switching, and detection of explosives
• Authors of publication: Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Tian, Yupeng; Yang, Jiaxiang
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1237
• a: 13.463 ± 0.002 Å
• b: 13.599 ± 0.002 Å
• c: 14.644 ± 0.002 Å
• α: 73.288 ± 0.002°
• β: 68.72 ± 0.002°
• γ: 60.714 ± 0.002°
• Cell volume: 2158.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.2078
• Residual factor for significantly intense reflections: 0.1772
• Weighted residual factors for significantly intense reflections: 0.4773
• Weighted residual factors for all reflections included in the refinement: 0.5093
• Goodness-of-fit parameter for all reflections included in the refinement: 2.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No