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Information card for entry 1552600
Preview
Coordinates | 1552600.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H48 O12.5 |
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Calculated formula | C29 H48 O12.5 |
SMILES | CO[C@]1(/C2=C/[C@@]3(C(=C(C(C)C)CC3)[C@H]([C@H](O)[C@@H]([C@@H]2CC1)C)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC)C)COC.O.O.O.O |
Title of publication | Dongtingnoids A-G: Fusicoccane Diterpenoids from a Penicillium Species. |
Authors of publication | Bie, Qiong; Chen, Chunmei; Yu, Muyuan; Guo, Jieru; Wang, Jianping; Liu, Junjun; Zhou, Yuan; Zhu, Hucheng; Zhang, Yonghui |
Journal of publication | Journal of natural products |
Year of publication | 2019 |
Journal volume | 82 |
Journal issue | 1 |
Pages of publication | 80 - 86 |
a | 17.3169 ± 0.0008 Å |
b | 10.191 ± 0.0005 Å |
c | 19.8401 ± 0.0008 Å |
α | 90° |
β | 98.595 ± 0.002° |
γ | 90° |
Cell volume | 3462 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0839 |
Residual factor for significantly intense reflections | 0.0753 |
Weighted residual factors for significantly intense reflections | 0.2029 |
Weighted residual factors for all reflections included in the refinement | 0.2166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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