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Information card for entry 1518414
Preview
Coordinates | 1518414.cif |
---|---|
Original paper (by DOI) | HTML |
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 Å3 |
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 |
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The link is: https://www.crystallography.net/1518414.html
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Users of the data should acknowledge the original authors of the
structural data.