Information card for entry 4518750

Structure parameters

• Formula: C24 H15 Cl3 O6
• Calculated formula: C24 H15 Cl3 O6
• SMILES: Clc1ccc(C(=O)[C@@H]2OC3O[C@H](OC3(O2)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1.Clc1ccc(C(=O)[C@H]2OC3O[C@@H](OC3(O2)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1
• Title of publication: Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles
• Authors of publication: Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington
• Journal of publication: ACS Omega
• Year of publication: 2021
• a: 13.285 ± 0.002 Å
• b: 14.4225 ± 0.0013 Å
• c: 11.9517 ± 0.0012 Å
• α: 90°
• β: 105.632 ± 0.012°
• γ: 90°
• Cell volume: 2205.3 ± 0.5 ų
• Cell temperature: 296.44 ± 0.15 K
• Ambient diffraction temperature: 296.44 ± 0.15 K
• Number of distinct elements: 4
• 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: 0.1887
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No