Information card for entry 7152465

Structure parameters

• Common name: Marek-88 ( Tom)
• Formula: C17 H24 O4
• Calculated formula: C17 H24 O4
• SMILES: O=C(O)c1ccc([C@@](OC)(C)[C@@](OCC)(CC)C=C)cc1.O=C(O)c1ccc([C@](OC)(C)[C@](OCC)(CC)C=C)cc1
• Title of publication: Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system.
• Authors of publication: Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 5803 - 5806
• a: 8.032 ± 0.001 Å
• b: 9.304 ± 0.001 Å
• c: 11.542 ± 0.001 Å
• α: 103.644 ± 0.004°
• β: 92.877 ± 0.004°
• γ: 97.279 ± 0.003°
• Cell volume: 828.56 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0773
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No