Information card for entry 7105426

Structure parameters

• Formula: C31 H27 Br O4
• Calculated formula: C31 H27 Br O4
• SMILES: Brc1ccc(cc1)[C@@](OCc1ccccc1)([C@H](c1ccccc1)CC(=O)c1ccccc1)C(=O)OC.Brc1ccc(cc1)[C@](OCc1ccccc1)([C@@H](c1ccccc1)CC(=O)c1ccccc1)C(=O)OC
• Title of publication: Copper(II)-catalyzed highly diastereoselective three-component reactions of aryl diazoacetates with alcohols and chalcones: an easy access to furan derivatives.
• Authors of publication: Zhu, Yingguang; Zhai, Changwei; Yang, Liping; Hu, Wenhao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 2865 - 2867
• a: 11.0837 ± 0.0004 Å
• b: 12.5162 ± 0.0004 Å
• c: 19.9846 ± 0.0007 Å
• α: 90°
• β: 105.703 ± 0.001°
• γ: 90°
• Cell volume: 2668.91 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.063
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No