Information card for entry 7064229

Structure parameters

• Formula: C22 H28 O4
• Calculated formula: C22 H28 O4
• Title of publication: Metavanadate-mediated hydroxyl activation enhances reaction efficiency in the carboxylative cyclization of propargyl alcohol with CO2
• Authors of publication: Niu, Hanlin; Liu, Andi; Hu, Zunfeng; Zhu, Xiangtao; Zhang, Bowen; Zhang, Shuai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 3754 - 3762
• a: 8.1152 ± 0.0016 Å
• b: 10.943 ± 0.002 Å
• c: 10.445 ± 0.002 Å
• α: 90°
• β: 92.743 ± 0.007°
• γ: 90°
• Cell volume: 926.5 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No