Information card for entry 7157454

Structure parameters

• Formula: C24 H15 F O3
• Calculated formula: C24 H15 F O3
• 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: 21.9897 ± 0.0006 Å
• b: 12.2777 ± 0.0003 Å
• c: 13.5508 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3658.48 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No