Information card for entry 8100260

Structure parameters

• Formula: C22 H24 O4
• Calculated formula: C22 H24 O4
• SMILES: O1C[C@H]([C@@]([C@H]1CO)(C(=O)c1ccccc1)C)[C@H](C(=O)c1ccccc1)C.O1C[C@@H]([C@]([C@@H]1CO)(C(=O)c1ccccc1)C)[C@@H](C(=O)c1ccccc1)C
• Title of publication: Crystal structure of (±)-(2R)-2-[(3S,4S,5S)-4-benzoyl-5-hydroxymethyl- 4-methyltetrahydro-3-furanyl]-1-phenylpropan-1-one, C~22~H~24~O~4~
• 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: 63 - 64
• a: 6.1275 ± 0.0006 Å
• b: 11.2476 ± 0.0011 Å
• c: 13.4535 ± 0.0013 Å
• α: 88.393 ± 0.002°
• β: 81.42 ± 0.002°
• γ: 79.313 ± 0.002°
• Cell volume: 900.93 ± 0.15 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No