Information card for entry 1560944

Structure parameters

• Formula: C40 H53 N O6
• Calculated formula: C40 H53 N O6
• SMILES: O=C1C(C(=O)c2cc(O)c(O)cc2)=C(O)[C@@]2(C(=O)[C@]1(C([C@@H](C2)CC=C(C)C)(C)C)CC=C(C)C)C[C@@H](C(=C)C)CC=C(C)C.N#CC
• 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: 10.8272 ± 0.0004 Å
• b: 9.0795 ± 0.0003 Å
• c: 19.3623 ± 0.0007 Å
• α: 90°
• β: 103.029 ± 0.001°
• γ: 90°
• Cell volume: 1854.42 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No