Information card for entry 1502798

Structure parameters

• Formula: C20 H30 O2
• Calculated formula: C20 H30 O2
• SMILES: O1[C@H]2CCC(=CC[C@@]3([C@@H](CC[C@]12C)C(=CC3=O)C(C)C)C)C
• Title of publication: Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea.
• Authors of publication: Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 5
• Pages of publication: 925 - 934
• a: 11.1485 ± 0.0015 Å
• b: 21.716 ± 0.003 Å
• c: 7.59 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1837.5 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No