Information card for entry 7127390

Structure parameters

• Formula: C23 H20 O2
• Calculated formula: C23 H20 O2
• Title of publication: Photoinduced umpolung addition of carbonyl compounds with α,β-unsaturated esters enables the polysubstituted γ-lactone formation.
• Authors of publication: Gu, Jia-Yi; Zhang, Wei; Jackson, Seth R.; He, Yan-Hong; Guan, Zhi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 87
• Pages of publication: 13441 - 13444
• a: 6.11677 ± 0.00009 Å
• b: 21.9208 ± 0.0003 Å
• c: 13.21139 ± 0.00019 Å
• α: 90°
• β: 96.7434 ± 0.0014°
• γ: 90°
• Cell volume: 1759.19 ± 0.04 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No