Information card for entry 1502799

Structure parameters

• Formula: C22 H32 O4
• Calculated formula: C22 H32 O4
• SMILES: O=C1C(=C(C)C)[C@H]2[C@@](C[C@H](OC(=O)C)C(=C)CCC(=O)[C@@H](CC2)C)(C1)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: 8.9941 ± 0.0015 Å
• b: 12.14 ± 0.002 Å
• c: 18.745 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2046.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1405
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No