Information card for entry 1501995

Structure parameters

• Formula: C33 H24 O4
• Calculated formula: C33 H24 O4
• SMILES: O1[C@H](c2ccccc2)C(O[C@@H]1c1cccc2c1cccc2)(C(=O)c1ccccc1)C(=O)c1ccccc1.O1[C@@H](c2ccccc2)C(O[C@H]1c1cccc2c1cccc2)(C(=O)c1ccccc1)C(=O)c1ccccc1
• 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: 34.4501 ± 0.0004 Å
• b: 34.4501 ± 0.0004 Å
• c: 11.2367 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11549.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No