Information card for entry 2226550

Structure parameters

• Chemical name: (3<i>R</i>,3a<i>S</i>,6<i>R</i>,6a<i>R</i>)- 3-(1-Nitroethyl)perhydrofuro[3,2-<i>b</i>]furan-3,6-diol
• Formula: C8 H13 N O6
• Calculated formula: C8 H13 N O6
• SMILES: N(=O)(=O)[C@@H]([C@]1(O)[C@H]2OC[C@@H](O)[C@H]2OC1)C
• Title of publication: (3<i>R</i>,3a<i>S</i>,6<i>R</i>,6a<i>R</i>)-3-(1-Nitroethyl)perhydrofuro[3,2-<i>b</i>]furan-3,6-diol
• Authors of publication: Zhang, Jing-Yu; Yang, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1704
• a: 6.959 ± 0.004 Å
• b: 5.525 ± 0.003 Å
• c: 12.384 ± 0.006 Å
• α: 90°
• β: 97.077 ± 0.007°
• γ: 90°
• Cell volume: 472.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes