Information card for entry 7156775

Structure parameters

• Formula: C19 H14 O3
• Calculated formula: C19 H14 O3
• Title of publication: Synthesis of 4-styrylcoumarins via FeCl₃-promoted cascade reactions of propargylamines with β-keto esters.
• Authors of publication: Yan, Li-Qin; Cai, Xiaoting; He, Xinwei; Wang, Hui; Xie, Mengqing; Zuo, Youpeng; Shang, Yongjia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 4005 - 4013
• a: 8.5355 ± 0.0003 Å
• b: 9.9613 ± 0.0003 Å
• c: 17.9321 ± 0.0005 Å
• α: 90°
• β: 100.199 ± 0.002°
• γ: 90°
• Cell volume: 1500.58 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No