Information card for entry 4026646

Structure parameters

• Formula: C20 H27 N O7
• Calculated formula: C20 H27 N O7
• SMILES: O[C@@H]1[C@@](N(C(=O)C1)Cc1ccc(OC)cc1)(C(=O)OC)[C@@H](OC(=O)C)C(C)C
• Title of publication: Stereospecific Total Syntheses of Proteasome Inhibitors Omuralide and Lactacystin
• Authors of publication: Wenxin Gu; Richard B. Silverman
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 8287 - 8293
• a: 8.7688 ± 0.001 Å
• b: 9.716 ± 0.0011 Å
• c: 12.439 ± 0.0014 Å
• α: 90°
• β: 110.073 ± 0.002°
• γ: 90°
• Cell volume: 995.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No