Information card for entry 4100437

Structure parameters

• Formula: C14 H18 O4
• Calculated formula: C14 H18 O4
• SMILES: O1c2c(c(OC)c(O)cc2[C@@H]2[C@H]1OCC2)C(C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 5.1796 ± 0.0009 Å
• b: 15.931 ± 0.003 Å
• c: 7.7324 ± 0.0012 Å
• α: 90°
• β: 90.41 ± 0.003°
• γ: 90°
• Cell volume: 638.04 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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