Information card for entry 4025283

Structure parameters

• Formula: C18 H27 N3 O7 S
• Calculated formula: C18 H27 N3 O7 S
• SMILES: S1(=O)(=O)OC[C@@H](NC(=O)OCc2ccccc2)[C@H](N1)CCNC(=O)OC(C)(C)C
• Title of publication: Total Synthesis of (-)-Muraymycin D2 and Its Epimer
• Authors of publication: Tetsuya Tanino; Satoshi Ichikawa; Motoo Shiro; Akira Matsuda
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1366 - 1377
• a: 7.8207 ± 0.0006 Å
• b: 8.7546 ± 0.0006 Å
• c: 31.827 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2179.1 ± 0.3 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.2192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.378
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No