Information card for entry 7250053

Structure parameters

• Formula: C7 H5 O2
• Calculated formula: C7 H5 O2
• Title of publication: Visible-light-induced photoredox-catalyzed dearomative dicarboxylation of arenes using formate and CO2
• Authors of publication: Li, Jiayuan; Zhang, Zeyu; Yi, Yaping; Xi, Chanjuan
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3443 - 3450
• a: 5.56956 ± 0.0001 Å
• b: 10.83565 ± 0.00018 Å
• c: 18.2517 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1101.49 ± 0.03 ų
• Cell temperature: 170 ± 0.4 K
• Ambient diffraction temperature: 170 ± 0.4 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No