Information card for entry 1546098

Structure parameters

• Formula: C20 H30 O9
• Calculated formula: C20 H30 O9
• SMILES: [C@]12([C@](CC[C@@]1([C@]1([C@]3([C@]4([C@@]2([C@@H]1[C@@]1([C@@]4(C)O[C@@](C3)(C(C)C)O1)O)O)O)O)C)O)(C)O)O
• Title of publication: Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.
• Authors of publication: Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 3029 - 3032
• a: 18.6492 ± 0.0019 Å
• b: 18.6492 ± 0.0019 Å
• c: 12.5645 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3784.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No