Information card for entry 1517375

Structure parameters

• Formula: C20 H30 O8
• Calculated formula: C20 H30 O8
• SMILES: O1[C@@]2([C@]3(O)O[C@]1(C[C@]1(O)[C@@]2(O)C(=O)[C@@]2([C@@H](CC[C@]2(O)[C@@]1(C3)C)C)O)C(C)C)C
• Title of publication: Diterpenoids with Immunosuppressive Activities from Cinnamomum cassia.
• Authors of publication: Zeng, Junfen; Xue, Yongbo; Shu, Penghua; Qian, Huiqin; Sa, Rongjian; Xiang, Ming; Li, Xiao-Nian; Luo, Zengwei; Yao, Guangmin; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 8
• Pages of publication: 1948
• a: 8.6352 ± 0.0001 Å
• b: 9.5547 ± 0.0001 Å
• c: 22.1075 ± 0.0003 Å
• α: 90°
• β: 96.19°
• γ: 90°
• Cell volume: 1813.38 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0288
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No