Information card for entry 1560945

Structure parameters

• Formula: C38 H50 O6
• Calculated formula: C38 H50 O6
• SMILES: O1C2=C(C(=O)[C@]3(C(=O)[C@]2(C[C@@H](C1(C)C)CC=C(C)C)C[C@@H](CC=C(C)C)C3(C)C)CC=C(C)C)C(=O)c1cc(O)c(O)cc1
• Title of publication: Structural Revision of Guttiferone F and 30-epi-Cambogin
• Authors of publication: Zheng, Dan; Jiang, Jia-Ming; Chen, Si-Min; Wan, Shi-Jie; Ren, Han-Gui; Chen, Gan; Xu, Gang; Zhou, Hua; Zhang, Hong; Xu, Hong-Xi
• Journal of publication: Journal of Natural Products
• Year of publication: 2021
• a: 14.5894 ± 0.0003 Å
• b: 11.1597 ± 0.0003 Å
• c: 20.4193 ± 0.0005 Å
• α: 90°
• β: 93.628 ± 0.001°
• γ: 90°
• Cell volume: 3317.87 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173.01 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: 0.0314
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No