Information card for entry 1518415

Structure parameters

• Formula: C25 H38 O3
• Calculated formula: C25 H38 O3
• SMILES: O=C1C(C2=C(C(=O)C1(C)C)[C@@H](C[C@@]1(O2)[C@H]2C([C@H](C2)CC1)(C)C)CC(C)C)(C)C
• Title of publication: Revised Stereochemistry of Ficifolidione and Its Biological Activities against Insects and Cells
• Authors of publication: Nishiwaki, Hisashi; Fujiwara, Satomi; Wukirsari, Tuti; Iwamoto, Hiroyuki; Mori, Shigeki; Nishi, Kosuke; Sugahara, Takuya; Yamauchi, Satoshi; Shuto, Yoshihiro
• Journal of publication: Journal of Natural Products
• Year of publication: 2014
• Pages of publication: 141212125500007
• a: 6.121 ± 0.0003 Å
• b: 17.2462 ± 0.0009 Å
• c: 10.9175 ± 0.0006 Å
• α: 90°
• β: 101.537 ± 0.007°
• γ: 90°
• Cell volume: 1129.21 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No