Information card for entry 1512380

Structure parameters

• Formula: C30 H38 O12
• Calculated formula: C30 H36 O12
• SMILES: O.O=C1O[C@@]23[C@]4(O[C@H]([C@@H]5[C@]64O[C@](O)(C5=O)[C@H]4[C@H]5[C@@H](/C(=C7\OC(=O)C(=C7)C)[C@@H](C6)[C@@]45C)C)C[C@H]3C(O[C@@H]2C1)(C)C)O.OC
• Title of publication: Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.
• Authors of publication: Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 5068 - 5071
• a: 11.7108 ± 0.0003 Å
• b: 11.236 ± 0.0003 Å
• c: 22.3436 ± 0.0005 Å
• α: 90°
• β: 103.523 ± 0.001°
• γ: 90°
• Cell volume: 2858.52 ± 0.12 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: 0.0714
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No