Information card for entry 8100214

Structure parameters

• Formula: C16 H22 O10
• Calculated formula: C16 H22 O10
• SMILES: O1C(=O)CC[C@@H]1[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)COC(=O)C
• Title of publication: Crystal structure of butyl (2R,3R,4R)-2,3,4-triacetoxy-4-[(2R)-oxo- tetrahydrofuran-2-yl]-acetate, C~16~H~22~O~10~
• Authors of publication: Peters, K.; Peters, E.-M.; Hartmann, K.; Kim, B. G.; Linker, T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 461 - 462
• a: 12.126 ± 0.001 Å
• b: 8.507 ± 0.001 Å
• c: 17.874 ± 0.002 Å
• α: 90°
• β: 92.43 ± 0.01°
• γ: 90°
• Cell volume: 1842.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No