Information card for entry 1544925

Structure parameters

• Formula: C20 H34 O4
• Calculated formula: C20 H34 O4
• SMILES: O[C@@]1([C@@H](CO)C=C2CC[C@H]3[C@]([C@@H]2CC1)(C[C@H](O)C[C@]3(CO)C)C)C
• 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: 7.342 ± 0.004 Å
• b: 15.348 ± 0.012 Å
• c: 8.002 ± 0.004 Å
• α: 90°
• β: 98.622 ± 0.008°
• γ: 90°
• Cell volume: 891.5 ± 1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0471
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No