Information card for entry 2000451

Structure parameters

• Formula: C18 H22 O3
• Calculated formula: C18 H22 O3
• SMILES: c1(ccc(c2CC(=CCCC(=CCc12)C)C)O)OC(=O)C
• Title of publication: Structure of wigandol
• Authors of publication: Toscano, R. A.; Quijano, L.; Gómez, F.; García-Pérez, G.; Rios, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2000 - 2002
• a: 20.828 ± 0.005 Å
• b: 8.364 ± 0.002 Å
• c: 21.508 ± 0.004 Å
• α: 90°
• β: 122.39 ± 0.02°
• γ: 90°
• Cell volume: 3163.9 ± 1.4 ų
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No