Information card for entry 1518414

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: 10.4672 ± 0.0015 Å
• b: 6.4647 ± 0.0009 Å
• c: 17.515 ± 0.002 Å
• α: 90°
• β: 107.273 ± 0.009°
• γ: 90°
• Cell volume: 1131.7 ± 0.3 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: 0.0734
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No