Information card for entry 1550779

Structure parameters

• Formula: C43 H31 N
• Calculated formula: C43 H31 N
• SMILES: c1(ccc(cc1)c1ccc(C(=C\c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)\C#N)cc1)C=C
• Title of publication: A polymerizable aggregation-induced emission dye for fluorescent nanoparticles: synthesis, molecular structure and application in cell imaging
• Authors of publication: Huang, Zengfang; Wang, Runze; Chen, Yali; Liu, Xiaobo; Wang, Ke; Mao, Liucheng; Wang, Ke; Yuan, Jinying; Zhang, Xiaoyong; Tao, Lei; Wei, Yen
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 17
• Pages of publication: 2162
• a: 9.526 ± 0.0006 Å
• b: 10.7198 ± 0.0007 Å
• c: 31.5458 ± 0.0018 Å
• α: 98.765 ± 0.005°
• β: 90.68 ± 0.005°
• γ: 106.033 ± 0.006°
• Cell volume: 3055 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0885
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.295
• Weighted residual factors for all reflections included in the refinement: 0.2202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No