Information card for entry 1507153

Structure parameters

• Formula: C27 H34 O8
• Calculated formula: C27 H34 O8
• SMILES: O1[C@@H]2[C@@H]3[C@@](O)(C[C@@H]4C(=O)OC(C)([C@@H]4CC3)C)C[C@@H]2[C@@]2([C@]1(OC(=O)C2)[C@@H](C=C1C=C(C(=O)O1)C)C)C
• 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: 10.4064 ± 0.0001 Å
• b: 6.9552 ± 0.0001 Å
• c: 18.3789 ± 0.0002 Å
• α: 90°
• β: 102.053 ± 0.001°
• γ: 90°
• Cell volume: 1300.91 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No