Information card for entry 4129774

Structure parameters

• Formula: C10 H14 N4 O6 S
• Calculated formula: C10 H14 N4 O6 S
• SMILES: s1nc2c(n([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)c(=O)nc2N)c1.O
• Title of publication: Chemical Mutagenesis of an Emissive RNA Alphabet.
• Authors of publication: Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 46
• Pages of publication: 14602 - 14605
• a: 6.9429 ± 0.0003 Å
• b: 11.0987 ± 0.0004 Å
• c: 16.3128 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1257.02 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No