Information card for entry 4129773

Structure parameters

• Formula: C10 H13 N4 O5.5 S
• Calculated formula: C10 H13 N4 O5.5 S
• 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: 4.8777 ± 0.0004 Å
• b: 7.7049 ± 0.0008 Å
• c: 17.0972 ± 0.0015 Å
• α: 81.369 ± 0.007°
• β: 82.83 ± 0.006°
• γ: 72.019 ± 0.007°
• Cell volume: 602.14 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No