Information card for entry 7126569

Structure parameters

• Formula: C42 H32 O6
• Calculated formula: C42 H32 O6
• Title of publication: Gold-catalyzed intermolecular [4+1] spiroannulation via site-selective aromatic C(sp²)-H functionalization and dearomatization of phenol derivatives.
• Authors of publication: Li, Yongfeng; Tang, Zhiqiong; Zhang, Junliang; Liu, Lu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 59
• Pages of publication: 8202 - 8205
• a: 10.5466 ± 0.0002 Å
• b: 10.572 ± 0.0002 Å
• c: 14.2364 ± 0.0002 Å
• α: 88.049 ± 0.001°
• β: 84.217 ± 0.001°
• γ: 86.299 ± 0.001°
• Cell volume: 1575.36 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0418
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No