Information card for entry 4028847

Structure parameters

• Formula: C11 H19 N O5
• Calculated formula: C11 H19 N O5
• SMILES: O1C(=O)C[C@@H]([C@H]1[C@H](O)C)NC(=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: 16.9621 ± 0.0003 Å
• b: 16.9621 ± 0.0003 Å
• c: 9.6648 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2780.69 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections: 0.1219
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9592
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No