Information card for entry 1517376

Structure parameters

• Formula: C20 H30 O7
• Calculated formula: C20 H30 O7
• SMILES: O=C1O[C@H]2[C@@]3(O)C(=C([C@@H](CO)C)C[C@@]3(O)[C@@]([C@]3(O)[C@@]2(O)[C@@H](CC3)C)(C)C1)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: 9.5101 ± 0.0002 Å
• b: 13.9479 ± 0.0003 Å
• c: 14.2836 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1894.66 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0332
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No