Information card for entry 2205965

Structure parameters

• Chemical name: (2R,3S,4R)-1,2,4,5-Tetraacetoxy-3-methoxypentyl acetate
• Formula: C16 H24 O11
• Calculated formula: C16 H24 O11
• SMILES: CO[C@H]([C@H](C(OC(=O)C)OC(=O)C)OC(=O)C)[C@H](OC(=O)C)COC(=O)C
• Title of publication: (2<i>R</i>,3<i>S</i>,4<i>R</i>)-1,2,4,5-Tetraacetoxy-3-methoxypentyl acetate
• Authors of publication: V. Valdivia, Verónica; Sosa-Rivadeneyra, Martha; Quintero, Leticia; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1643 - o1645
• a: 8.2148 ± 0.0008 Å
• b: 14.31 ± 0.002 Å
• c: 16.816 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1976.8 ± 0.4 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes