Information card for entry 4038705

Structure parameters

• Formula: C12 H10 O3
• Calculated formula: C12 H10 O3
• Title of publication: Carboxylative Cyclization of 2-Butenoates with Carbon Dioxide: Access to Glutaconic Anhydrides.
• Authors of publication: Zhang, Ke; Zhang, Wen-Zhen; Tao, Xue-Yan; Zhang, Min; Ren, Wei-Min; Lu, Xiao-Bing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 10.1493 ± 0.0006 Å
• b: 6.7882 ± 0.0004 Å
• c: 14.1297 ± 0.0008 Å
• α: 90°
• β: 95.25 ± 0.002°
• γ: 90°
• Cell volume: 969.39 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No