Information card for entry 1502797

Structure parameters

• Formula: C20 H30 O2
• Calculated formula: C20 H30 O2
• SMILES: O=C1C(=C(C)C)[C@H]2[C@@](CC=C(CC[C@@H]3O[C@]3(CC2)C)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: 8.2674 ± 0.0017 Å
• b: 8.6702 ± 0.0018 Å
• c: 12.79 ± 0.003 Å
• α: 90°
• β: 99.451 ± 0.004°
• γ: 90°
• Cell volume: 904.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No