Information card for entry 1513375

Structure parameters

• Formula: C20 H30 O3
• Calculated formula: C20 H30 O3
• SMILES: O(c1cc2c(C=C[C@@H]3C([C@H](O)CC[C@@]23C)(C)C)cc1C)C.OC
• Title of publication: Anti-Hepatitis C Virus Dinorditerpenes from the Roots of Flueggea virosa.
• Authors of publication: Chao, Chih-Hua; Cheng, Ju-Chien; Shen, De-Yang; Wu, Tian-Shung
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 1
• Pages of publication: 22 - 28
• a: 8.1278 ± 0.0002 Å
• b: 6.9825 ± 0.0002 Å
• c: 16.1268 ± 0.0004 Å
• α: 90°
• β: 92.741 ± 0.002°
• γ: 90°
• Cell volume: 914.19 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No