Information card for entry 7127389

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: 5.97592 ± 0.0001 Å
• b: 22.3752 ± 0.0005 Å
• c: 13.3264 ± 0.0003 Å
• α: 90°
• β: 97.3628 ± 0.0017°
• γ: 90°
• Cell volume: 1767.21 ± 0.06 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: 0.0516
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No