Information card for entry 4025451

Structure parameters

• Formula: C15 H21 N O6
• Calculated formula: C15 H21 N O6
• SMILES: O=C1O[C@@]2([C@H](C1)C(=O)N1[C@@H](OC[C@@]21C(=O)OC)C(C)(C)C)C
• Title of publication: Concise Formal Synthesis of (-)-Salinosporamide A (Marizomib) Using a Regio- and Stereoselective Epoxidation and Reductive Oxirane Ring-Opening Strategy
• Authors of publication: Taotao Ling; Barbara C. Potts; Venkat R. Macherla
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3882 - 3885
• a: 11.064 ± 0.017 Å
• b: 9.94 ± 0.015 Å
• c: 16.43 ± 0.02 Å
• α: 90°
• β: 99.82 ± 0.016°
• γ: 90°
• Cell volume: 1780 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No