Information card for entry 1516665

Structure parameters

• Formula: C30 H36 O4
• Calculated formula: C30 H36 O4
• SMILES: O=C([C@]12C(=O)[C@@]34C(=O)[C@](C[C@@H](C1(C)C)C[C@@H]3C(C)(C)CC4)(C2=O)C/C=C(/C)C)c1ccccc1
• Title of publication: Norsampsones A-D, Four New Decarbonyl Polycyclic Polyprenylated Acylphloroglucinols from Hypericum sampsonii.
• Authors of publication: Tian, Wen-Jing; Yu, Yang; Yao, Xiao-Jun; Chen, Hai-Feng; Dai, Yi; Zhang, Xiao-Kun; Yao, Xin-Sheng
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 3448 - 3451
• a: 10.7866 ± 0.0004 Å
• b: 7.7855 ± 0.0003 Å
• c: 14.9348 ± 0.0007 Å
• α: 90°
• β: 99.41 ± 0.004°
• γ: 90°
• Cell volume: 1237.33 ± 0.09 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: 0.0391
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No