Information card for entry 1513223

Structure parameters

• Formula: C22 H36 O8
• Calculated formula: C22 H36 O8
• SMILES: C1C[C@@H](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)OC(=O)C.O.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: 8.5553 ± 0.0002 Å
• b: 7.058 ± 0.0002 Å
• c: 18.5846 ± 0.0005 Å
• α: 90°
• β: 94.668 ± 0.001°
• γ: 90°
• Cell volume: 1118.48 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0312
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No