Information card for entry 4025123

Structure parameters

• Formula: C20 H31 N O6
• Calculated formula: C20 H31 N O6
• SMILES: O(C(=O)N1[C@H](C[C@@]23C(=O)CC[C@]2(O)CC(=O)CC3)COC1(C)C)C(C)(C)C
• Title of publication: A General Approach to Chiral Building Blocks via Direct Amino Acid-Catalyzed Cascade Three-Component Reductive Alkylations: Formal Total Synthesis of HIV-1 Protease Inhibitors, Antibiotic Agglomerins, Brefeldin A, and (R)-γ-Hexanolide
• Authors of publication: Dhevalapally B. Ramachary; Y. Vijayendar Reddy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 74 - 85
• a: 9.602 ± 0.007 Å
• b: 11.454 ± 0.009 Å
• c: 10.106 ± 0.008 Å
• α: 90°
• β: 114.009 ± 0.012°
• γ: 90°
• Cell volume: 1015.3 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1598
• 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