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Information card for entry 1545924
Preview
Coordinates | 1545924.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H24 O5 |
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Calculated formula | C20 H24 O5 |
SMILES | O1c2c(OC1)cc(C[C@H]([C@H](Cc1cc(OC)c(O)cc1)CO)C)cc2 |
Title of publication | Neuroprotective Lignans from the Fruits of Schisandra bicolor var. tuberculata. |
Authors of publication | Liu, Ye; Yu, Heng-Yi; Wang, Yan-Mei; Tian, Tian; Wu, Wen-Ming; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li |
Journal of publication | Journal of natural products |
Year of publication | 2017 |
Journal volume | 80 |
Journal issue | 4 |
Pages of publication | 1117 - 1124 |
a | 9.7656 ± 0.0001 Å |
b | 6.1628 ± 0.0001 Å |
c | 15.4441 ± 0.0002 Å |
α | 90° |
β | 101.53 ± 0.001° |
γ | 90° |
Cell volume | 910.72 ± 0.02 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273.15 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 | 0.0364 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/1545924.html
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Users of the data should acknowledge the original authors of the
structural data.