Information card for entry 7156516

Structure parameters

• Formula: C20 H18 O3
• Calculated formula: C20 H18 O3
• Title of publication: Visible-light-promoted radical acylation/cyclization of alkynoates with aldehydes for the synthesis of 3-acylcoumarins.
• Authors of publication: Wang, Qiumei; Yang, Chao; Jiang, Chao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 8196 - 8204
• a: 13.4246 ± 0.0012 Å
• b: 7.175 ± 0.0007 Å
• c: 17.1559 ± 0.0014 Å
• α: 90°
• β: 97.007 ± 0.003°
• γ: 90°
• Cell volume: 1640.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1144
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No