Information card for entry 4100491

Structure parameters

• Formula: C14 H18 O5
• Calculated formula: C14 H18 O5
• SMILES: O1CC2=CC(=O)C[C@@H]2[C@H](OC(=O)C)[C@]21OCCCC2
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.3448 ± 0.0007 Å
• b: 8.2704 ± 0.0007 Å
• c: 10.2329 ± 0.0009 Å
• α: 90°
• β: 110.033 ± 0.001°
• γ: 90°
• Cell volume: 663.5 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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