Information card for entry 7061044

Structure parameters

• Formula: C56 H38 Cl2 N4
• Calculated formula: C56 H38 Cl2 N4
• SMILES: n1(c2c(nc1c1cnccc1)c1c(c3c2cccc3)cccc1)c1ccc(C(=C\c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)\C#N)cc1.ClCCl
• Title of publication: Multi-stimuli responsive properties and structure–property studies of tetraphenylethylene functionalized arylimidazole derivatives
• Authors of publication: Guo, Shengmei; Zhang, Gaobin; Chen, Fangjie; Ni, Yingyong; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 21327 - 21333
• a: 12.057 Å
• b: 12.616 Å
• c: 16.803 Å
• α: 70.51°
• β: 86.9°
• γ: 64.39°
• Cell volume: 2160.51 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No