Information card for entry 2203522
Common name |
Kadsuranin |
Chemical name |
5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7- dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole |
Formula |
C23 H28 O6 |
Calculated formula |
C23 H28 O6 |
SMILES |
O(c1c2OCOc2cc2C[C@H]([C@H](Cc3cc(OC)c(OC)c(OC)c3c12)C)C)C |
Title of publication |
Kadsuranin: a lignan from the fruit of <i>Schisandra chinensis</i> |
Authors of publication |
Wang, Li-Wei; Chen, Tao; Sun, Hong-Xiang; Xiong, Yi; Zhao, Yu |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
4 |
Pages of publication |
o513 - o514 |
a |
10.5346 ± 0.0007 Å |
b |
10.9409 ± 0.0007 Å |
c |
11.0568 ± 0.0007 Å |
α |
83.315 ± 0.002° |
β |
70.256 ± 0.003° |
γ |
63.245 ± 0.002° |
Cell volume |
1070.09 ± 0.12 Å3 |
Cell temperature |
273 ± 2 K |
Ambient diffraction temperature |
273 ± 2 K |
Number of distinct elements |
3 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.1299 |
Residual factor for significantly intense reflections |
0.0831 |
Weighted residual factors for significantly intense reflections |
0.1776 |
Weighted residual factors for all reflections included in the refinement |
0.1964 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.101 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2203522.html