Information card for entry 1513225

Structure parameters

• Formula: C22 H32 O7
• Calculated formula: C22 H32 O7
• SMILES: C1C[C@@H](C([C@H]2C[C@H]([C@]34[C@H]([C@]12C)C(=O)C[C@H]([C@H]3O)C(=C)C4=O)O)(C)C)OC(=O)C.O
• 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: 7.5784 ± 0.0001 Å
• b: 10.6565 ± 0.0002 Å
• c: 26.4145 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2133.21 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No