Information card for entry 4518753

Structure parameters

• Formula: C30 H30 O6
• Calculated formula: C30 H30 O6
• SMILES: O1C2(O[C@@H](OC2O[C@@H]1C(=O)c1c(cc(cc1)C)C)C(=O)c1c(cc(cc1)C)C)c1ccc(cc1C)C
• 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: 9.1302 ± 0.0006 Å
• b: 11.5971 ± 0.001 Å
• c: 12.5478 ± 0.0009 Å
• α: 103.762 ± 0.007°
• β: 96.584 ± 0.006°
• γ: 90.048 ± 0.006°
• Cell volume: 1281.41 ± 0.17 ų
• Cell temperature: 293.55 ± 0.11 K
• Ambient diffraction temperature: 293.55 ± 0.11 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: 0.0815
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No