Information card for entry 4035595

Structure parameters

• Common name: operculatol A
• Formula: C28 H32 O4
• Calculated formula: C28 H32 O4
• SMILES: O(c1c2c(O[C@]3([C@@H]4C([C@H](C[C@H]3C2)C4)(C)C)C)c(c(O)c1C(=O)/C=C/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: 10.2778 ± 0.0004 Å
• b: 10.3228 ± 0.0005 Å
• c: 12.3658 ± 0.0006 Å
• α: 112.387 ± 0.005°
• β: 105.71 ± 0.004°
• γ: 92.527 ± 0.004°
• Cell volume: 1151.68 ± 0.11 ų
• Cell temperature: 100 ± 0.6 K
• Ambient diffraction temperature: 100 ± 0.6 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No