Information card for entry 7133045

Structure parameters

• Formula: C15 H16 O4
• Calculated formula: C15 H16 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, Xiaobing; Zhang, Wen-Zhen
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.828 ± 0.0012 Å
• b: 7.9485 ± 0.0009 Å
• c: 15.2171 ± 0.0018 Å
• α: 90°
• β: 95.439 ± 0.006°
• γ: 90°
• Cell volume: 1303.8 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No