Information card for entry 4021331

Structure parameters

• Formula: C18 H17 N O5
• Calculated formula: C18 H17 N O5
• SMILES: O(CC(=O)[C@H]1[C@@H]2[C@H]3[C@@H]4[C@@H]([C@@H]4C2)[C@@H]1C3)C(=O)c1ccc(N(=O)=O)cc1.O(CC(=O)[C@@H]1[C@H]2[C@@H]3[C@H]4[C@H]([C@H]4C2)[C@H]1C3)C(=O)c1ccc(N(=O)=O)cc1
• Title of publication: Efficient Preparation of a 1,3-Diazidocyclitol as a Versatile 2-Deoxystreptamine Precursor
• Authors of publication: Guuske F. Busscher; Stan Groothuys; René de Gelder; Floris P. J. T. Rutjes; Floris L. van Delft
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4477 - 4481
• a: 41.943 ± 0.003 Å
• b: 7.1885 ± 0.0006 Å
• c: 10.2993 ± 0.0008 Å
• α: 90°
• β: 97.023 ± 0.007°
• γ: 90°
• Cell volume: 3082 ± 0.4 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.152
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No