Information card for entry 4518751

Structure parameters

• Formula: C27 H24 O6
• Calculated formula: C27 H24 O6
• SMILES: O1[C@@H](OC2O[C@@H](OC12c1c(cccc1)C)C(=O)c1c(cccc1)C)C(=O)c1ccccc1C
• 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: 9.8005 ± 0.0006 Å
• b: 10.7669 ± 0.0004 Å
• c: 11.3858 ± 0.0006 Å
• α: 84.965 ± 0.003°
• β: 71.99 ± 0.005°
• γ: 81.26 ± 0.004°
• Cell volume: 1128.24 ± 0.11 ų
• Cell temperature: 292 ± 0.6 K
• Ambient diffraction temperature: 292 ± 0.6 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: 0.0658
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No