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Information card for entry 1516024
Preview
Coordinates | 1516024.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H58 O10 |
---|---|
Calculated formula | C36 H58 O10 |
SMILES | O([C@H]1CC[C@]2([C@H]([C@]1(CO)C)CC[C@@]1([C@@H]2CC[C@H]2[C@]1(CC[C@@H]2[C@]1(O)C(=O)O[C@H](C1)C=C(C)C)C)C)C)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO |
Title of publication | Dammarane-Type Triterpenoids from Gentianella azurea. |
Authors of publication | Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang |
Journal of publication | Journal of natural products |
Year of publication | 2014 |
Journal volume | 77 |
Journal issue | 5 |
Pages of publication | 1201 |
a | 15.2138 ± 0.0003 Å |
b | 8.0132 ± 0.0002 Å |
c | 16.3249 ± 0.0003 Å |
α | 90° |
β | 116.964 ± 0.001° |
γ | 90° |
Cell volume | 1773.84 ± 0.07 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 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 | 0.037 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.1031 |
Weighted residual factors for all reflections included in the refinement | 0.1038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1516024.html
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Users of the data should acknowledge the original authors of the
structural data.