Information card for entry 4101127

Structure parameters

• Formula: C14 H18 O3
• Calculated formula: C14 H18 O3
• SMILES: OC(=O)/C(=C(OCC)\CCc1ccccc1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 9.047 ± 0.0005 Å
• b: 21.1758 ± 0.0006 Å
• c: 13.6531 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2615.6 ± 0.2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No