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Information card for entry 1516662
Preview
Coordinates | 1516662.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H44 O11 |
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Calculated formula | C32 H44 O11 |
SMILES | O[C@@]12OOC([C@@H]3C[C@@H](OC(=O)C)[C@@]4([C@@H]([C@]3([C@@H](OC(=O)C)C1)C2)[C@@H](OC(=O)C)C[C@@]1(C4=CC[C@H]1c1cocc1)C)C)(C)C.O |
Title of publication | The first limonoid peroxide in the Meliaceae family: walsuronoid A from Walsura robusta. |
Authors of publication | Yin, Sheng; Wang, Xiao-Ning; Fan, Cheng-Qi; Liao, Shang-Gao; Yue, Jian-Min |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 12 |
Pages of publication | 2353 - 2356 |
a | 8.2919 ± 0.0008 Å |
b | 18.2388 ± 0.0018 Å |
c | 10.7413 ± 0.001 Å |
α | 90° |
β | 106.478 ± 0.002° |
γ | 90° |
Cell volume | 1557.7 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0609 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1248 |
Weighted residual factors for all reflections included in the refinement | 0.1286 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1516662.html
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Users of the data should acknowledge the original authors of the
structural data.