Information card for entry 4025733

Structure parameters

• Formula: C18 H33 N3 O4 Si
• Calculated formula: C18 H33 N3 O4 Si
• SMILES: [C@@H]12[C@@H]([C@H]([C@@H]([C@@H](C1)OC2=O)N=N#N)OC(CC)CC)O[Si](C)(C)C(C)(C)C
• Title of publication: A Synthesis of Oseltamivir (Tamiflu) Starting fromd-Mannitol
• Authors of publication: Ji S. Ko; Ji E. Keum; Soo Y. Ko
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 7006 - 7009
• a: 6.6667 ± 0.0002 Å
• b: 11.1767 ± 0.0003 Å
• c: 15.5388 ± 0.0004 Å
• α: 78.951 ± 0.001°
• β: 79.354 ± 0.001°
• γ: 73.025 ± 0.001°
• Cell volume: 1076.57 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No