Information card for entry 7057827

Structure parameters

• Chemical name: ((6R,7S,8R)-7,8-dihydroxy-6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl)(λ^3^-oxidaneylidyne)(p-tolyl)-λ^7^-sulfanone
• Formula: C14 H19 N O6 S
• Calculated formula: C14 H19 N O6 S
• Title of publication: Synthesis and antiviral activity of novel spirocyclic nucleosides
• Authors of publication: Cobb, Alexander J. A.; Dell’Isola, Antonio; Abdulsattar, Ban O.; McLachlan, Matthew M. W.; Neuman, Benjamin W.; Müller, Christin; Shankland, Kenneth; Al-Mulla, Hawaa M. N.; Binks, Alexander W. D.; Elvidge, Warren
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 18363
• a: 13.1956 ± 0.0003 Å
• b: 5.6323 ± 0.0002 Å
• c: 20.3477 ± 0.0005 Å
• α: 90°
• β: 91.524 ± 0.002°
• γ: 90°
• Cell volume: 1511.74 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0474
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No