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Information card for entry 1553288
Preview
Coordinates | 1553288.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H22 O2 |
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Calculated formula | C15 H22 O2 |
SMILES | C1(=O)C[C@H]([C@@]2(C[C@]3(CCC2=C1)C(C)(C)O3)C)C |
Title of publication | Vetiverianines A, B, and C: Sesquiterpenoids from Vetiveria zizanioides Roots. |
Authors of publication | Matsuo, Yukiko; Maeda, Saori; Ohba, Chika; Fukaya, Haruhiko; Mimaki, Yoshihiro |
Journal of publication | Journal of natural products |
Year of publication | 2016 |
Journal volume | 79 |
Journal issue | 9 |
Pages of publication | 2175 - 2180 |
a | 5.8324 ± 0.0007 Å |
b | 12.9306 ± 0.0014 Å |
c | 17.55 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1323.6 ± 0.3 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0325 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0763 |
Weighted residual factors for all reflections included in the refinement | 0.0775 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
234058 (current) | 2019-11-23 | cif/ Adding structures of 1553288 via cif-deposit CGI script. |
1553288.cif |
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Users of the data should acknowledge the original authors of the
structural data.