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Information card for entry 1558524
Preview
Coordinates | 1558524.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | xpc67 |
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Formula | C21 H34 O8 |
Calculated formula | C21 H32 O8 |
SMILES | O=C1O[C@@H](O)C(=C1)[C@@H](O)C[C@@]1([C@H]2C[C@H](C(=O)OC)[C@](O)([C@@]2(CC[C@H]1C)C)C)C.O |
Title of publication | Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis. |
Authors of publication | Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie |
Journal of publication | Journal of natural products |
Year of publication | 2020 |
Journal volume | 83 |
Journal issue | 7 |
Pages of publication | 2191 - 2199 |
a | 8.4232 ± 0.0011 Å |
b | 30.675 ± 0.004 Å |
c | 8.5481 ± 0.0011 Å |
α | 90° |
β | 101.44 ± 0.006° |
γ | 90° |
Cell volume | 2164.8 ± 0.5 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 | 0.1566 |
Residual factor for significantly intense reflections | 0.1454 |
Weighted residual factors for significantly intense reflections | 0.3939 |
Weighted residual factors for all reflections included in the refinement | 0.4141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.752 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1558524.html
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Users of the data should acknowledge the original authors of the
structural data.