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Information card for entry 1557707
Preview
Coordinates | 1557707.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | dd_xcj20 |
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Formula | C20 H30 O7 |
Calculated formula | C20 H30 O7 |
SMILES | O(C(=O)C(=C\C)/C)[C@@H]1[C@@](O)([C@@H]2CC3=C(C)C(=O)O[C@@]3(O)C[C@]2(CC1)C)C.O |
Title of publication | Antimalarial Eudesmane Sesquiterpenoids from <i>Dobinea delavayi</i>. |
Authors of publication | Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei |
Journal of publication | Journal of natural products |
Year of publication | 2020 |
Journal volume | 83 |
Journal issue | 4 |
Pages of publication | 927 - 936 |
a | 10.5287 ± 0.0005 Å |
b | 7.3127 ± 0.0004 Å |
c | 12.9166 ± 0.0006 Å |
α | 90° |
β | 94.614 ± 0.001° |
γ | 90° |
Cell volume | 991.27 ± 0.09 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 | 0.0357 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.0919 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
251470 (current) | 2020-05-04 | cif/ Updating files of 1557706, 1557707 Original log message: Adding full bibliography for 1557706--1557707.cif. |
1557707.cif |
249938 | 2020-04-02 | cif/ Adding structures of 1557707 via cif-deposit CGI script. |
1557707.cif |
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Users of the data should acknowledge the original authors of the
structural data.