Information card for entry 7249291

Structure parameters

• Formula: C31 H30 O4
• Calculated formula: C31 H30 O4
• Title of publication: De novo synthesis of 6-6-5 fused-systems through electrochemical decarboxylation and radical domino additions
• Authors of publication: Yuan, Chengcheng; Liu, Guanru; Guan, Wenjing; Hang, Jinlin; Fang, Zheng; Liu, Chengkou; Guo, Kai
• Journal of publication: Green Chemistry
• Year of publication: 2024
• a: 6.6573 ± 0.0006 Å
• b: 11.266 ± 0.0008 Å
• c: 16.8729 ± 0.0014 Å
• α: 97.191 ± 0.003°
• β: 93.243 ± 0.003°
• γ: 102.955 ± 0.003°
• Cell volume: 1218.88 ± 0.17 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No