Information card for entry 1566572

Structure parameters

• Formula: C26 H31 N O12
• Calculated formula: C26 H31 N O12
• Title of publication: (1R,2R,3S,4R)-1-(Acetylamino)-2,4,5-tris(acetyloxy)-1-((2S)-4-(benzyloxy)-5-oxo-2,5-dihydrofuran-2-yl)pentan-3-yl Acetate
• Authors of publication: Fitzgerald, Liam S.; O’Malley, Ciaran; Murphy, Paul V.
• Journal of publication: Molbank
• Year of publication: 2022
• Journal volume: 2022
• Journal issue: 1
• Pages of publication: M1337
• a: 10.1989 ± 0.0005 Å
• b: 8.7455 ± 0.0004 Å
• c: 15.8721 ± 0.0009 Å
• α: 90°
• β: 99.068 ± 0.005°
• γ: 90°
• Cell volume: 1398.01 ± 0.12 ų
• Cell temperature: 298 ± 0.1 K
• Ambient diffraction temperature: 298 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No