Information card for entry 4114213

Structure parameters

• Common name: Marek-6 Dvora
• Formula: C30 H37 N O3 S2
• Calculated formula: C30 H37 N O3 S2
• SMILES: S(=O)(c1ccc(cc1)C)C(=C)[C@](CC)(CCCC)[C@H](NS(=O)(=O)c1ccc(cc1)C)c1ccccc1.S(=O)(c1ccc(cc1)C)C(=C)[C@@](CC)(CCCC)[C@@H](NS(=O)(=O)c1ccc(cc1)C)c1ccccc1
• Title of publication: Four-Component Reactions for a New Diastereoselective Synthesis of Chiral Quaternary Centers
• Authors of publication: Genia Sklute; Deborah Amsallem; Amal Shabli; Jos P. Varghese; Ilan Marek
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 11776 - 11777
• a: 8.999 ± 0.002 Å
• b: 13.651 ± 0.003 Å
• c: 13.679 ± 0.003 Å
• α: 65.48 ± 0.02°
• β: 72.5 ± 0.02°
• γ: 72.4 ± 0.02°
• Cell volume: 1427.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No