Information card for entry 8100261

Structure parameters

• Formula: C29 H28 O5
• Calculated formula: C29 H28 O5
• SMILES: O1[C@H]([C@@]([C@H](C1)[C@H](C(=O)c1ccccc1)C)(C(=O)c1ccccc1)C)COC(=O)c1ccccc1.O1[C@@H]([C@]([C@@H](C1)[C@@H](C(=O)c1ccccc1)C)(C(=O)c1ccccc1)C)COC(=O)c1ccccc1
• Title of publication: Crystal structure of (±)-{[2S,3S,4S)-3-benzoyl-3-methyl-4-[(1S)-1- methyl- 2-oxo-2-phenylethyl]tetrahydro-2-furanyl}methyl benzoate, C~29~H~28~O~5~
• Authors of publication: Greatrex, B. W.; Kimber, M. C.; Taylor, D. K.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 1
• Pages of publication: 65 - 66
• a: 9.8981 ± 0.0008 Å
• b: 21.4305 ± 0.0018 Å
• c: 11.5763 ± 0.001 Å
• α: 90°
• β: 106.849 ± 0.002°
• γ: 90°
• Cell volume: 2350.2 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No