Information card for entry 1504463

Structure parameters

• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: O1OCC(=C2[C@@H]3C=C(C(=O)C[C@@H]3[C@H](C[C@@]12O)C)C)C
• Title of publication: Cadinane sesquiterpenes from the leaves of Eupatorium adenophorum.
• Authors of publication: He, Lan; Hou, Jing; Gan, Maoluo; Shi, Jiangong; Chantrapromma, Suchada; Fun, Hoong-Kun; Williams, Ian D.; Sung, Herman H.-Y.
• Journal of publication: Journal of natural products
• Year of publication: 2008
• Journal volume: 71
• Journal issue: 8
• Pages of publication: 1485 - 1488
• a: 14.058 ± 0.002 Å
• b: 14.058 ± 0.002 Å
• c: 15.624 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2674.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No