Information card for entry 4129771

Structure parameters

• Formula: C10 H14 N4 O5 S
• Calculated formula: C10 H14 N4 O5 S
• SMILES: s1nc2c(ncnc2N)c1[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO.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: 4.8225 ± 0.0004 Å
• b: 8.003 ± 0.0005 Å
• c: 15.9946 ± 0.001 Å
• α: 90°
• β: 97.432 ± 0.002°
• γ: 90°
• Cell volume: 612.12 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No