Information card for entry 1506948

Structure parameters

• Formula: C16 H18 O6
• Calculated formula: C16 H18 O6
• SMILES: O1C(=O)C=C(OC1(C)C)C[C@@](O)(C(=O)OC)c1ccccc1
• Title of publication: A new class of substituted aryl bis(oxazoline) ligands for highly enantioselective copper-catalyzed asymmetric aldol addition of dienolsilane to pyruvate and glyoxylate esters.
• Authors of publication: Le, Julie Cong-Dung; Pagenkopf, Brian L.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 22
• Pages of publication: 4097 - 4099
• a: 8.8086 ± 0.0007 Å
• b: 8.4239 ± 0.0006 Å
• c: 11.2036 ± 0.001 Å
• α: 90°
• β: 113.233 ± 0.003°
• γ: 90°
• Cell volume: 763.92 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.327
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No