Information card for entry 4021330

Structure parameters

• Formula: C18 H17 N O5
• Calculated formula: C18 H17 N O5
• SMILES: O=C1[C@H]2[C@H]3C[C@@H]4C[C@H]3[C@@H]([C@@H]4[C@H]1OC(=O)c1ccc(N(=O)=O)cc1)C2.O=C1[C@@H]2[C@@H]3C[C@H]4C[C@@H]3[C@H]([C@H]4[C@@H]1OC(=O)c1ccc(N(=O)=O)cc1)C2
• 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: 7.0838 ± 0.0004 Å
• b: 14.5357 ± 0.0007 Å
• c: 16.0758 ± 0.0009 Å
• α: 71.249 ± 0.005°
• β: 78.019 ± 0.005°
• γ: 84.231 ± 0.005°
• Cell volume: 1532.27 ± 0.14 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.0967
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No