Information card for entry 4027258

Structure parameters

• Formula: C17 H25 N O10
• Calculated formula: C17 H25 N O10
• SMILES: O([C@@H]1C(NC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)C(OC)[C@H]1OC(=O)C)C(=O)C
• Title of publication: Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol
• Authors of publication: Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5801 - 5807
• a: 15.345 ± 0.002 Å
• b: 11.1876 ± 0.0018 Å
• c: 12.2187 ± 0.0019 Å
• α: 90°
• β: 103.406 ± 0.002°
• γ: 90°
• Cell volume: 2040.5 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No