Information card for entry 1512378

Structure parameters

• Formula: C29 H32 O11
• Calculated formula: C29 H32 O11
• SMILES: O1[C@@]23[C@H](C(O[C@@H]3CC1=O)(C)C)C[C@@H]1O[C@@]2(O)[C@@]23O[C@@](O)([C@@H]4[C@@]5([C@](O)(C2)/C(=C2\OC(=O)C(=C2)C)[C@H]([C@H]45)C)C)C(=O)[C@H]13
• 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: 8.0497 ± 0.0004 Å
• b: 15.5432 ± 0.0008 Å
• c: 21.3767 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2674.6 ± 0.2 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: 0.0366
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No