Information card for entry 1516013

Structure parameters

• Formula: C26 H34 O7
• Calculated formula: C26 H34 O7
• SMILES: O[C@@H]1C[C@@H]2[C@@]([C@H]3[C@@H](O)[C@H](O)[C@@]4([C@@H](C(=O)C[C@H]4c4ccoc4)[C@]13C)C)(C=CC(=O)OC2(C)C)C
• Title of publication: Bioactive terpenoids from the fruits of Aphanamixis grandifolia.
• Authors of publication: Zhang, Yao; Wang, Jun-Song; Wei, Dan-Dan; Gu, Yu-Cheng; Wang, Xiao-Bing; Kong, Ling-Yi
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 1191 - 1195
• a: 8.063 ± 0.0001 Å
• b: 14.9648 ± 0.0002 Å
• c: 20.7157 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2499.58 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No