Information card for entry 1502795

Structure parameters

• Formula: C29 H36 O11
• Calculated formula: C29 H36 O11
• SMILES: O1[C@]2(O)CC(=O)O[C@@]32[C@H](C1(C)C)C[C@H](O)[C@@H]1[C@@]2(O[C@]4(O[C@H]5[C@H](OC(=O)[C@H]5C)[C@@H]5[C@H]4[C@](CC2)(C(=O)[C@@H]5C)C)C1=O)C3
• Title of publication: Nortriterpene lactones from the fruits of Schisandra arisanensis.
• Authors of publication: Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, Yi-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Hwang, Tsong-Long; Shen, Ya-Ching
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 1228 - 1233
• a: 8.797 ± 0.0001 Å
• b: 9.901 ± 0.0001 Å
• c: 15.9022 ± 0.0002 Å
• α: 90°
• β: 99.925 ± 0.001°
• γ: 90°
• Cell volume: 1364.34 ± 0.03 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No