Information card for entry 7131589

Structure parameters

• Formula: C23 H34 O4
• Calculated formula: C23 H34 O4
• SMILES: O=C1[C@@](C[C@@H](CC=C(C)C)C(=C1)C)(C[C@@H](CCC(=C)C)C(=O)C)C(=O)OC.O=C1[C@](C[C@H](CC=C(C)C)C(=C1)C)(C[C@H](CCC(=C)C)C(=O)C)C(=O)OC
• Title of publication: Total synthesis and structural reassignment of garcinielliptone FC, a polycyclic polyprenylated acylphloroglucinol with diverse bioactivity.
• Authors of publication: Luo, Yang; Grossman, Robert B.; Nie, Xiao-Bin; Yang, Xing-Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 41
• Pages of publication: 6215 - 6218
• a: 9.1816 ± 0.0005 Å
• b: 23.6417 ± 0.0012 Å
• c: 10.0047 ± 0.0005 Å
• α: 90°
• β: 102.444 ± 0.002°
• γ: 90°
• Cell volume: 2120.69 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No