Information card for entry 4035593

Structure parameters

• Chemical name: cleistoperlone A
• Formula: C36 H34 O8
• Calculated formula: C36 H34 O8
• SMILES: O(c1c(c2O[C@@]34O[C@H](CC(=C4C(=O)C(C(=O)[C@@]3(Cc2c(O)c1C(=O)/C=C/c1ccccc1)C)(C)C)O)c1ccccc1)C)C.O(c1c(c2O[C@]34O[C@@H](CC(=C4C(=O)C(C(=O)[C@]3(Cc2c(O)c1C(=O)/C=C/c1ccccc1)C)(C)C)O)c1ccccc1)C)C
• Title of publication: Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.
• Authors of publication: Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 15
• Pages of publication: 8522 - 8532
• a: 24.7977 ± 0.0003 Å
• b: 13.2591 ± 0.00016 Å
• c: 18.0031 ± 0.0002 Å
• α: 90°
• β: 96.1889 ± 0.0011°
• γ: 90°
• Cell volume: 5884.83 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No