Information card for entry 7108484

Structure parameters

• Formula: C5 H7 N7 O6
• Calculated formula: C5 H7 N7 O6
• SMILES: O=N(=O)[O-].O=N(=O)[O-].Nc1[nH]cnc2[nH+]c[nH+]c12
• Title of publication: Asymmetric autocatalysis initiated by achiral nucleic acid base adenine: implications on the origin of homochirality of biomolecules
• Authors of publication: Hiroko Mineki; Taichi Hanasaki; Arimasa Matsumoto; Tsuneomi Kawasaki; Kenso Soai
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10538
• a: 4.87323 ± 0.00009 Å
• b: 9.93425 ± 0.00018 Å
• c: 19.6468 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 951.14 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 significantly intense reflections: 0.0241
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No