Information card for entry 1506601

Structure parameters

• Formula: C10 H15 N O4
• Calculated formula: C10 H15 N O4
• SMILES: O[C@@H](C(C)C)[C@]12NC(=O)[C@H]([C@@H]2OC1=O)C
• Title of publication: Simple enantiospecific syntheses of the C(2)-diastereomers of omuralide and 3-methylomuralide.
• Authors of publication: Reddy, Leleti Rajender; Saravanan, P.; Fournier, Jean-François; Subba Reddy, B. V.; Corey, E. J.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 13
• Pages of publication: 2703 - 2705
• a: 7.5381 ± 0.0009 Å
• b: 8.2908 ± 0.001 Å
• c: 17.803 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1112.6 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No