Information card for entry 4100995

Structure parameters

• Formula: C14 H19 I O5
• Calculated formula: C14 H19 I O5
• SMILES: I\C=C/[C@H](O)C[C@@H](O)[C@@](O)(\C=C\[C@@H]1OC(=O)C=CC1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 5.94 ± 0.01 Å
• b: 10.564 ± 0.004 Å
• c: 25.499 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1599 ± 3 ų
• Cell temperature: 97.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No