Information card for entry 7127214

Structure parameters

• Formula: C21 H20 O4
• Calculated formula: C21 H19.432 O4
• Title of publication: Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones.
• Authors of publication: Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 82
• Pages of publication: 12439 - 12442
• a: 10.5308 ± 0.001 Å
• b: 18.5025 ± 0.0016 Å
• c: 8.737 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1702.4 ± 0.3 ų
• Cell temperature: 293.9 ± 0.5 K
• Ambient diffraction temperature: 293.9 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No