Information card for entry 4518748

Structure parameters

• Formula: C24 H18 O6
• Calculated formula: C24 H18 O6
• SMILES: O1[C@@H](OC2O[C@@H](OC12c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1
• 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: 8.1723 ± 0.0008 Å
• b: 11.5815 ± 0.001 Å
• c: 12.0792 ± 0.001 Å
• α: 110.821 ± 0.008°
• β: 99.527 ± 0.007°
• γ: 108.076 ± 0.008°
• Cell volume: 965.69 ± 0.18 ų
• Cell temperature: 293.8 ± 0.18 K
• Ambient diffraction temperature: 293.8 ± 0.18 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0686
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No