Information card for entry 7119844

Structure parameters

• Formula: C10 H14 N4 O6
• Calculated formula: C10 H14 N4 O6
• SMILES: O1[C@]2(O[C@H]3[C@@H]1[C@H](O[C@@H]3CO)n1c2cc(nc1=O)N)N.O
• Title of publication: A new and potentially prebiotic α-cytidine derivative.
• Authors of publication: Tsanakopoulou, Maria; Xu, Jianfeng; Bond, Andrew D.; Sutherland, John D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 3327 - 3329
• a: 7.4674 ± 0.0002 Å
• b: 10.9703 ± 0.0003 Å
• c: 13.9309 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1141.21 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0277
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No