Information card for entry 1501996

Structure parameters

• Formula: C20 H20 O5
• Calculated formula: C20 H20 O5
• SMILES: O1C([C@@H](O[C@@H]1c1ccccc1)c1ccc(OC)cc1)(C(=O)C)C(=O)C.O1C([C@H](O[C@H]1c1ccccc1)c1ccc(OC)cc1)(C(=O)C)C(=O)C
• Title of publication: Lewis acid catalyzed carbon-carbon bond cleavage of aryl oxiranyl diketones: synthesis of cis-2,5-disubstituted 1,3-dioxolanes.
• Authors of publication: Chen, Zuliang; Wei, Lai; Zhang, Junliang
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1170 - 1173
• a: 10.333 ± 0.002 Å
• b: 8.0719 ± 0.0016 Å
• c: 21.608 ± 0.004 Å
• α: 90°
• β: 100.077 ± 0.005°
• γ: 90°
• Cell volume: 1774.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.058
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No