Information card for entry 7232862

Structure parameters

• Formula: C18 H14 O6
• Calculated formula: C18 H14 O6
• Title of publication: Copper-catalyzed intramolecular cross dehydrogenative coupling approach to coumestans from 2′-hydroxyl-3-arylcoumarins
• Authors of publication: Song, Xianheng; Luo, Xiang; Sheng, Jianfei; Li, Jianheng; Zhu, Zefeng; Du, Zhibo; Miao, Hui; Yan, Meng; Li, Mingkang; Zou, Yong
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 30
• Pages of publication: 17391
• a: 9.1056 ± 0.0006 Å
• b: 11.706 ± 0.0008 Å
• c: 14.8314 ± 0.0008 Å
• α: 78.547 ± 0.005°
• β: 77.009 ± 0.005°
• γ: 73.528 ± 0.006°
• Cell volume: 1461.74 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0764
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0177
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No