Information card for entry 7157453

Structure parameters

• Formula: C24 H13 F3 O2
• Calculated formula: C24 H13 F3 O2
• Title of publication: A visible-light-induced "on-off" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.
• Authors of publication: Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 3346 - 3353
• a: 11.8769 ± 0.0008 Å
• b: 11.865 ± 0.0006 Å
• c: 14.2912 ± 0.0011 Å
• α: 90°
• β: 110.026 ± 0.008°
• γ: 90°
• Cell volume: 1892.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.08
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No