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Information card for entry 1552945
Preview
Coordinates | 1552945.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H48 N4 O3 |
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Calculated formula | C31 H48 N4 O3 |
SMILES | O=C1N2C[C@H]3[C@@H]4N(CCC3)[C@H](C3=CN5[C@H]6[C@@H](C3)CN3C(=O)CCC[C@@H]3[C@H]6CCC5)CC[C@@H]4[C@H]2CCC1.OC |
Title of publication | Alopecuroides A‒E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides |
Authors of publication | Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min |
Journal of publication | Journal of Natural Products |
Year of publication | 2019 |
a | 8.4347 ± 0.0001 Å |
b | 8.6934 ± 0.0001 Å |
c | 9.8006 ± 0.0001 Å |
α | 101.982 ± 0.001° |
β | 95.217 ± 0.001° |
γ | 96.552 ± 0.001° |
Cell volume | 693.518 ± 0.014 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1656 |
Weighted residual factors for all reflections included in the refinement | 0.1657 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 1.54184 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/1552945.html
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Users of the data should acknowledge the original authors of the
structural data.