Information card for entry 1506072

Structure parameters

• Formula: C9 H15 N O3
• Calculated formula: C9 H15 N O3
• SMILES: O1[C@H]2[C@@H](OC1(C)C)C(=N[C@@H]2CO)C
• Title of publication: exo-Imino to endo-iminocyclitol rearrangement. A general route to five-membered antiviral azasugars.
• Authors of publication: Moriarty, Robert M.; Mitan, Carmen I.; Branza-Nichita, Norica; Phares, Kenneth R.; Parrish, Damon
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 16
• Pages of publication: 3465 - 3467
• a: 5.424 ± 0.002 Å
• b: 7.937 ± 0.003 Å
• c: 11.566 ± 0.005 Å
• α: 90°
• β: 90.737 ± 0.005°
• γ: 90°
• Cell volume: 497.9 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.1003
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2137
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No