Information card for entry 1512379

Structure parameters

• Formula: C29 H42 O16
• Calculated formula: C29 H32 O16
• SMILES: O=C1O[C@]23[C@@]4(O)O[C@H]([C@@H]5[C@]64O[C@@](O)([C@@H]4[C@@]7([C@](O)(C6)C(=C6\OC(=O)C(=C6)C)\[C@H]([C@H]47)C)C)C5=O)C[C@H]2C(O[C@@H]3C1)(C)C.O.O.O.O.O
• 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: 19.0394 ± 0.0003 Å
• b: 19.0394 ± 0.0003 Å
• c: 8.2358 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2985.47 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No