Information card for entry 7156785

Structure parameters

• Formula: C23 H16 O2
• Calculated formula: C23 H16 O2
• Title of publication: An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.
• Authors of publication: Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 4621 - 4628
• a: 8.217 ± 0.0003 Å
• b: 23.5453 ± 0.0007 Å
• c: 8.6771 ± 0.0003 Å
• α: 90°
• β: 96.908 ± 0.004°
• γ: 90°
• Cell volume: 1666.59 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No