Information card for entry 7133046

Structure parameters

• Formula: C17 H18 O5
• Calculated formula: C17 H18 O5
• SMILES: O(C(=O)CC(C(=O)OC)c1cc2c(cc(OC)cc2)cc1)C
• Title of publication: Electrochemical ring-opening carboxylation of cyclic carbonate with carbon dioxide.
• Authors of publication: Tao, Li; Wang, He; Liu, Xiao-Fei; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Wen-Zhen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 44
• Pages of publication: 5735 - 5738
• a: 5.8137 ± 0.0004 Å
• b: 8.5017 ± 0.0005 Å
• c: 16.6639 ± 0.001 Å
• α: 99.886 ± 0.003°
• β: 92.872 ± 0.003°
• γ: 108.302 ± 0.003°
• Cell volume: 765.58 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.5 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: 0.0615
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No