Information card for entry 4120553

Structure parameters

• Formula: C9 H13 N3 O4
• Calculated formula: C9 H13 N3 O4
• SMILES: O=C1NC(=O)C(=CN1[C@@H]1OC[C@H](O)[C@H]1N)C
• Title of publication: Synthesis and Nonenzymatic Template-Directed Polymerization of 2'-Amino-2'-deoxythreose Nucleotides.
• Authors of publication: Blain, J. Craig; Ricardo, Alonso; Szostak, Jack W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 2033 - 2039
• a: 11.345 ± 0.0011 Å
• b: 5.1744 ± 0.0005 Å
• c: 17.219 ± 0.0017 Å
• α: 90°
• β: 91.318 ± 0.002°
• γ: 90°
• Cell volume: 1010.55 ± 0.17 ų
• Cell temperature: 15 ± 2 K
• Ambient diffraction temperature: 15 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No