Information card for entry 7132877

Structure parameters

• Formula: C25 H22 O4
• Calculated formula: C25 H22 O4
• SMILES: O(C(c1ccccc1)C(=O)OCC)C(=C\C(=O)c1ccccc1)\c1ccccc1
• 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: 10.2833 ± 0.0018 Å
• b: 10.038 ± 0.002 Å
• c: 20.688 ± 0.004 Å
• α: 90°
• β: 98.406 ± 0.007°
• γ: 90°
• Cell volume: 2112.6 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No