Information card for entry 7129850

Structure parameters

• Formula: C31 H30 O2
• Calculated formula: C31 H30 O2
• Title of publication: Divergent oxidative dearomatization coupling reactions to construct polycyclic cyclohexadienones
• Authors of publication: Pu, Qian; Huo, Mingming; Liang, Guojuan; Bai, Lijuan; Chen, Genhui; Li, Hongjiao; Xiang, Peng; Zhou, Hui; Zhou, Jing
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.8263 ± 0.0003 Å
• b: 21.7654 ± 0.0004 Å
• c: 11.6633 ± 0.0004 Å
• α: 90°
• β: 117.279 ± 0.004°
• γ: 90°
• Cell volume: 2442.67 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No