Information card for entry 7132875

Structure parameters

• Formula: C19 H16 O4
• Calculated formula: C19 H16 O4
• SMILES: O=C1C(OC(=C1)c1ccccc1)(c1ccccc1)C(=O)OCC
• 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: 10.9362 ± 0.0006 Å
• b: 17.792 ± 0.001 Å
• c: 8.2146 ± 0.0004 Å
• α: 90°
• β: 108.127 ± 0.002°
• γ: 90°
• Cell volume: 1519.04 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.3 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: 0.0774
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No