Information card for entry 7132876

Structure parameters

• Formula: C20 H22 O5 S
• Calculated formula: C20 H22 O5 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)/C=C(/OC(c1ccccc1)C(=O)OCC)C
• Title of publication: Dioxane promoted photochemical <i>O</i>-alkylation of 1,3-dicarbonyl compounds beyond carbene insertion into C-H and C-C bonds.
• Authors of publication: Zhou, Xinlong; Jiang, Jingjing; Zhang, Min; Wu, Qingqing; Zhu, Keyong; Shi, Dongjie; Hou, Sensen; Zhao, Jingjing; Li, Pan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 32
• Pages of publication: 4330 - 4333
• a: 21.549 ± 0.003 Å
• b: 10.8252 ± 0.0014 Å
• c: 17.856 ± 0.003 Å
• α: 90°
• β: 113.929 ± 0.004°
• γ: 90°
• Cell volume: 3807.3 ± 1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No