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Information card for entry 1558331
Preview
Coordinates | 1558331.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H48 O6 |
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Calculated formula | C31 H48 O6 |
SMILES | O=C(C1=C(O)[C@@]2(C(=O)[C@@]3([C@H](C[C@H](C1(C)C)C2)C(C)([C@H](C3)C(O)(C)C)C)C(=O)OC)CC=C(C)C)C(C)C |
Title of publication | Hypersonins A-D, Polycyclic Polyprenylated Acylphloroglucinols with a 1,2-<i>seco</i>-Homoadamantane Architecture from <i>Hypericum wilsonii</i>. |
Authors of publication | Xie, Shuangshuang; Tan, Xiaosheng; Liu, Yaping; Duan, Yulin; Chen, Gang; Feng, Hao; Sun, Lingjuan; Huang, Yingying; Guo, Yi; Shi, Zhengyi; Zhou, Yuan; Qi, Changxing; Zhang, Yonghui |
Journal of publication | Journal of natural products |
Year of publication | 2020 |
Journal volume | 83 |
Journal issue | 6 |
Pages of publication | 1804 - 1809 |
a | 10.90373 ± 0.00013 Å |
b | 9.73486 ± 0.00011 Å |
c | 14.2878 ± 0.0002 Å |
α | 90° |
β | 102.003 ± 0.0013° |
γ | 90° |
Cell volume | 1483.44 ± 0.03 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.0275 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0722 |
Weighted residual factors for all reflections included in the refinement | 0.0723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
253730 (current) | 2020-07-04 | cif/ Updating files of 1558331 Original log message: Adding full bibliography for 1558331.cif. |
1558331.cif |
253217 | 2020-06-18 | cif/ Adding structures of 1558331 via cif-deposit CGI script. |
1558331.cif |
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Users of the data should acknowledge the original authors of the
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