Information card for entry 7160179

Structure parameters

• Chemical name: (R)-2-(uracil-1-yl)-(SP)-N-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane-2-yl)-(S)-6-hydroxymethyl-morpholine
• Formula: C16 H24 N3 O5 P S2
• Calculated formula: C16 H24 N3 O5 P S2
• Title of publication: P-Stereodefined morpholino dinucleoside 3',5'-phosphorothioates.
• Authors of publication: Jastrzębska, Katarzyna; Antończyk, Patrycja; Dolot, Rafał
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• a: 6.8003 ± 0.0001 Å
• b: 28.655 ± 0.0003 Å
• c: 10.6061 ± 0.0001 Å
• α: 90°
• β: 93.452 ± 0.001°
• γ: 90°
• Cell volume: 2062.98 ± 0.04 ų
• Cell temperature: 293.88 ± 0.1 K
• Ambient diffraction temperature: 293.88 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No