Information card for entry 1513226

Structure parameters

• Formula: C20 H28 O5
• Calculated formula: C20 H28 O5
• SMILES: C1CC(=O)C([C@H]2C[C@H]([C@]34[C@H]([C@]12C)[C@@H](C[C@H]([C@H]3O)C(=C)C4=O)O)O)(C)C
• Title of publication: Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.
• Authors of publication: Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 12
• Pages of publication: 2253 - 2262
• a: 6.506 Å
• b: 13.7 Å
• c: 20.624 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1838.26 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No