Information card for entry 1501820

Structure parameters

• Formula: C40 H44 O14
• Calculated formula: C39.45 H41.7 O13.35
• SMILES: O1C[C@]2(O)[C@@H]3[C@@H](C3)[C@]3([C@H]2CC2=C(C(=O)O[C@]42[C@@H]2[C@]5(O)C(=C[C@@H]34)[C@@H]3[C@@H](C3)[C@@]5(C(=O)[C@H]3OC(=O)C(=C23)C)C)COC(=O)CCC(=O)OCC(=CC1=O)C)C.OC
• Title of publication: Lindenane disesquiterpenoids with anti-HIV-1 activity from Chloranthus japonicus.
• Authors of publication: Fang, Ping-Lei; Cao, Ying-Li; Yan, Huan; Pan, Li-Li; Liu, Shu-Cong; Gong, Ning-Bo; Lü, Yang; Chen, Chang-Xiang; Zhong, Hui-Min; Guo, Ying; Liu, Hai-Yang
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 1408 - 1413
• a: 9.84 ± 0.005 Å
• b: 18.655 ± 0.007 Å
• c: 10.168 ± 0.005 Å
• α: 90°
• β: 101.518 ± 0.016°
• γ: 90°
• Cell volume: 1828.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No