Information card for entry 1513823

Structure parameters

• Formula: C29 H34 O11
• Calculated formula: C29 H34 O11
• SMILES: O[C@@]12O[C@H]([C@H]3C(=O)[C@@]4(O)O[C@@]23CC[C@](C)(C(=O)[C@@H](/C=C\2OC(=O)C(=C2)C)C)C4)C[C@@H]2[C@]31[C@H](OC2(C)C)CC(=O)O3
• Title of publication: Structural Characterization and Antioxidative Activity of Lancifonins: Unique Nortriterpenoids from Schisandra lancifolia.
• Authors of publication: Shi, Yi-Ming; Yang, Jie; Xu, Li; Li, Xiao-Nian; Shang, Shan-Zhai; Cao, Peng; Xiao, Wei-Lie; Sun, Han-Dong
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 1370 - 1373
• a: 11.6577 ± 0.0002 Å
• b: 12.319 ± 0.0002 Å
• c: 18.3198 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2630.93 ± 0.08 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: 0.0278
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No