Information card for entry 1544924

Structure parameters

• Formula: C20 H34 O4
• Calculated formula: C20 H34 O4
• SMILES: O1[C@@H]2C3=CC[C@@H]4C([C@H](O)CC[C@]4([C@@H]3CC[C@@]2([C@@H](O)C1)C)C)(C)C.O
• Title of publication: ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens.
• Authors of publication: Wang, Jianbin; Duan, Hongquan; Wang, Yi; Pan, Bowen; Gao, Chun; Gai, Chunyan; Wu, Qiong; Fu, Hongzheng
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 19 - 29
• a: 7.098 ± 0.005 Å
• b: 11.005 ± 0.005 Å
• c: 12.116 ± 0.006 Å
• α: 90°
• β: 98.904 ± 0.008°
• γ: 90°
• Cell volume: 935 ± 0.9 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: 0.0433
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No