Information card for entry 1507154

Structure parameters

• Formula: C27 H36 O9
• Calculated formula: C27 H36 O9
• SMILES: O1C(C=C(C1=O)C)=C[C@@H]([C@]12[C@]([C@@H]3[C@H](O2)[C@@H]2[C@@](O)(C[C@H]4[C@@H](CC2)C(OC4=O)(C)C)C3)(C)CC(=O)O1)C.O
• Title of publication: Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia.
• Authors of publication: Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong
• Journal of publication: Organic Letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1286 - 1289
• a: 10.243 ± 0.0004 Å
• b: 10.5955 ± 0.0005 Å
• c: 23.2804 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2526.61 ± 0.18 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: 0.0341
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No