Information card for entry 7157455

Structure parameters

• Formula: C23 H14 O2
• Calculated formula: C23 H14 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: 10.9195 ± 0.0008 Å
• b: 11.7513 ± 0.0007 Å
• c: 14.206 ± 0.0006 Å
• α: 87.69 ± 0.005°
• β: 77.763 ± 0.005°
• γ: 71.943 ± 0.006°
• Cell volume: 1693.1 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0637
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No