Information card for entry 4028850

Structure parameters

• Formula: C25 H35 N O4
• Calculated formula: C25 H35 N O4
• SMILES: O[C@H]([C@H](O)C)[C@@H](N([C@@H](c1ccccc1)C)Cc1ccccc1)CC(=O)OC(C)(C)C
• Title of publication: Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide
• Authors of publication: Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 12397 - 12408
• a: 9.6934 ± 0.0002 Å
• b: 10.0175 ± 0.0002 Å
• c: 12.9042 ± 0.0003 Å
• α: 90°
• β: 108.306 ± 0.001°
• γ: 90°
• Cell volume: 1189.63 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.052
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No