Information card for entry 4128559

Structure parameters

• Formula: C9 H16 N4 O4
• Calculated formula: C9 H16 N4 O4
• SMILES: OC[C@H]1O[C@@H](n2c(=O)nc(N)cc2)CNC1.O
• Title of publication: Template-Directed Nonenzymatic Primer Extension Using 2-Methylimidazole-Activated Morpholino Derivatives of Guanosine and Cytidine.
• Authors of publication: Zhang, Weicheng; Pal, Ayan; Ricardo, Alonso; Szostak, Jack W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 30
• Pages of publication: 12159 - 12166
• a: 8.3359 ± 0.0004 Å
• b: 11.5375 ± 0.0005 Å
• c: 11.8279 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1137.55 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0234
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No