Information card for entry 7158746

Structure parameters

• Formula: C29 H22 O2 Se
• Calculated formula: C29 H22 O2 Se
• Title of publication: Visible light-induced selenylative spirocyclization of biaryl ynones toward the formation of selenated spiro[5.5]trienones.
• Authors of publication: Chen, Zhichao; Zheng, Xinran; Zhou, Shu-Feng; Cui, Xiuling
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 29
• Pages of publication: 5779 - 5783
• a: 9.6751 ± 0.0008 Å
• b: 10.1384 ± 0.001 Å
• c: 13.4857 ± 0.0012 Å
• α: 107.731 ± 0.008°
• β: 109.77 ± 0.008°
• γ: 93.109 ± 0.007°
• Cell volume: 1167.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No