Information card for entry 4129364

Structure parameters

• Formula: C20 H33 Cl O2
• Calculated formula: C20 H33 Cl O2
• SMILES: ClC([C@H]1O[C@@]([C@@H]2[C@@H]3[C@@H](CCC(=C3)C)[C@@](O)(CC2)C)(CC1)C)(C)C
• Title of publication: Synthesis and potent antimalarial activity of kalihinol B.
• Authors of publication: Daub, Mary Elisabeth; Prudhomme, Jacques; Le Roch, Karine; Vanderwal, Christopher D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 15
• Pages of publication: 4912 - 4915
• a: 29.89 ± 0.004 Å
• b: 29.89 ± 0.004 Å
• c: 5.8875 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4555.3 ± 1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No