Information card for entry 7133043

Structure parameters

• Formula: C12 H14 O4
• Calculated formula: C12 H14 O4
• 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: 5.8827 ± 0.0003 Å
• b: 24.9167 ± 0.0009 Å
• c: 8.1339 ± 0.0003 Å
• α: 90°
• β: 110.149 ± 0.001°
• γ: 90°
• Cell volume: 1119.28 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No