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Information card for entry 1512188
Preview
Coordinates | 1512188.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H34 O8 |
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Calculated formula | C27 H34 O8 |
SMILES | O1[C@@H]2CC(=O)C([C@H](C1)[C@]2([C@@H]1[C@@](C(=O)OC)([C@]23O[C@@H]3C(=O)O[C@H]([C@@]2(CC1)C)c1cocc1)C)C)(C)C |
Title of publication | Thaixylomolins A‒C: Limonoids Featuring Two New Motifs from the ThaiXylocarpus moluccensis |
Authors of publication | Li, Jun; Li, Min-Yi; Bruhn, Torsten; Katele, Félix Zongwe; Xiao, Qiang; Pedpradab, Patchara; Wu, Jun; Bringmann, Gerhard |
Journal of publication | Organic Letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 14 |
Pages of publication | 3682 |
a | 11.4703 ± 0.0002 Å |
b | 11.1191 ± 0.0002 Å |
c | 19.4805 ± 0.0003 Å |
α | 90° |
β | 97.1691 ± 0.0013° |
γ | 90° |
Cell volume | 2465.11 ± 0.07 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 | 0.0379 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0939 |
Weighted residual factors for all reflections included in the refinement | 0.096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 1.54184 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/1512188.html
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Users of the data should acknowledge the original authors of the
structural data.