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Information card for entry 1516096
Preview
Coordinates | 1516096.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H39 O11.5 |
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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 |
Duplicate of | 1507152 |
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/1516096.html
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Users of the data should acknowledge the original authors of the
structural data.