Information card for entry 4112829

Structure parameters

• Formula: C6 H10 N2 O4
• Calculated formula: C6 H10 N2 O4
• SMILES: O1[C@H]([C@H](O)[C@@H]2OC(=N[C@H]12)N)CO
• Title of publication: Selective Derivatization and Sequestration of Ribose from a Prebiotic Mix
• Authors of publication: Greg Springsteen; Gerald F. Joyce
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9578 - 9583
• a: 8.4457 ± 0.0017 Å
• b: 8.5608 ± 0.0017 Å
• c: 10.075 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 728.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No