Information card for entry 7152464

Structure parameters

• Common name: Marek-70 (Bishnu)
• Formula: C18 H26 O4
• Calculated formula: C18 H26 O4
• SMILES: O[C@]([C@](COC)(C=C)CCCC)(c1ccc(cc1)C(=O)O)C.O[C@@]([C@@](COC)(C=C)CCCC)(c1ccc(cc1)C(=O)O)C
• 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: 8.831 ± 0.002 Å
• b: 9.455 ± 0.003 Å
• c: 21.605 ± 0.006 Å
• α: 90°
• β: 99.62 ± 0.008°
• γ: 90°
• Cell volume: 1778.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.161
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.2578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No