Information card for entry 7239873

Structure parameters

• Formula: C39 H29 N O2
• Calculated formula: C39 H29 N O2
• Title of publication: An acrylate AIE-active dye with a two-photon fluorescent switch for fluorescent nanoparticles by RAFT polymerization: synthesis, molecular structure and application in cell imaging
• Authors of publication: Huang, Zengfang; Chen, Yali; Wang, Runze; Zhou, Chaoyue; Liu, Xiaobo; Mao, Liucheng; Yuan, Jinying; Tao, Lei; Wei, Yen
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 5704 - 5711
• a: 29.6191 ± 0.0012 Å
• b: 5.7006 ± 0.0002 Å
• c: 17.6543 ± 0.0006 Å
• α: 90°
• β: 100.62 ± 0.004°
• γ: 90°
• Cell volume: 2929.81 ± 0.19 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No