Information card for entry 4106827

Structure parameters

• Formula: C11 H12 N2 O6 S
• Calculated formula: C11 H12 N2 O6 S
• Title of publication: Emissive RNA Alphabet
• Authors of publication: Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14912 - 14915
• a: 6.8494 ± 0.0003 Å
• b: 17.1089 ± 0.0007 Å
• c: 10.04 ± 0.0004 Å
• α: 90°
• β: 90.747 ± 0.002°
• γ: 90°
• Cell volume: 1176.44 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0312
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No