Information card for entry 1507152
Formula |
C29 H39 O11.5 |
Calculated formula |
C29 H36 O11.5 |
SMILES |
O.O=C1O[C@]23C[C@]4(O)[C@@H]([C@H]5O[C@@]6(OC(=O)C[C@@]6([C@H]5C4)C)[C@@H](/C=C/4OC(=O)C(=C4)C)C)CC[C@H]2[C@](O[C@@H]3C1)(C)CO.O |
Title of publication |
Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia. |
Authors of publication |
Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong |
Journal of publication |
Organic Letters |
Year of publication |
2012 |
Journal volume |
14 |
Journal issue |
5 |
Pages of publication |
1286 - 1289 |
a |
20.2712 ± 0.0005 Å |
b |
6.8588 ± 0.0002 Å |
c |
21.9489 ± 0.0006 Å |
α |
90° |
β |
109.756 ± 0.001° |
γ |
90° |
Cell volume |
2872.07 ± 0.14 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 |
0.0608 |
Residual factor for significantly intense reflections |
0.0589 |
Weighted residual factors for significantly intense reflections |
0.1636 |
Weighted residual factors for all reflections included in the refinement |
0.1671 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
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/1507152.html