Information card for entry 1502796

Structure parameters

• Formula: C20 H30 O2
• Calculated formula: C20 H30 O2
• SMILES: [C@]12(CC=C(CCC(=O)[C@H](CC[C@H]1C(=C(C)C)C(=O)C2)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: 9.7774 ± 0.0014 Å
• b: 10.7185 ± 0.0016 Å
• c: 17.521 ± 0.003 Å
• α: 90°
• β: 90.174 ± 0.003°
• γ: 90°
• Cell volume: 1836.2 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No