Information card for entry 8100546

Structure parameters

• Formula: C22 H26 O3
• Calculated formula: C22 H26 O3
• SMILES: O[C@]1([C@H](CC=C1)C(=O)OC12CC3CC(C1)CC(C2)C3)c1ccccc1.O[C@@]1([C@@H](CC=C1)C(=O)OC12CC3CC(C1)CC(C2)C3)c1ccccc1
• Title of publication: Crystal structure of (±)-1-adamantyl(1R,2S)-2-hydroxy-2-phenyl-3- cyclopentene-1-carboxylate, C~22~H~26~O~3~
• Authors of publication: Greatrex, B. W.; Taylor, D. K.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 83 - 84
• a: 9.834 ± 0.002 Å
• b: 10.629 ± 0.002 Å
• c: 9.754 ± 0.005 Å
• α: 102.21 ± 0.02°
• β: 105.49 ± 0.03°
• γ: 71.58 ± 0.02°
• Cell volume: 923.2 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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