Information card for entry 7234571

Structure parameters

• Formula: C42 H29 N O
• Calculated formula: C42 H29 N O
• Title of publication: A novel AIE-active dye for fluorescent nanoparticles by one-pot combination of Hantzsch reaction and RAFT polymerization: synthesis, molecular structure and application in cell imaging
• Authors of publication: Chen, Yali; Huang, Zengfang; Liu, Xiaobo; Mao, Liucheng; Yuan, Jinying; Zhang, Xiaoyong; Tao, Lei; Wei, Yen
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 56
• Pages of publication: 32601
• a: 5.4879 ± 0.0005 Å
• b: 9.4465 ± 0.0018 Å
• c: 29.547 ± 0.002 Å
• α: 91.818 ± 0.01°
• β: 92.824 ± 0.007°
• γ: 100.708 ± 0.011°
• Cell volume: 1502 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1388
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No