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Information card for entry 1544540
Preview
Coordinates | 1544540.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H54 O9 |
---|---|
Calculated formula | C41 H54 O9 |
SMILES | c1cc(cc(c1O)O)C(=O)[C@@]12C(=O)[C@@]3(C[C@@]4([C@]52[C@](C[C@H]4CC=C(C)C)(C[C@H]2[C@](C1)(C)O[C@@](C2)(C(C)(C)O)O5)C3=O)C)CC=C(C)C.C(=O)(C)C.c1cc(cc(c1O)O)C(=O)[C@]12C(=O)[C@]3(C[C@]4([C@@]52[C@@](C[C@@H]4CC=C(C)C)(C[C@@H]2[C@@](C1)(C)O[C@](C2)(C(C)(C)O)O5)C3=O)C)CC=C(C)C.C(=O)(C)C |
Title of publication | Garmultins A‒G, Biogenetically Related Polycyclic Acylphloroglucinols from Garcinia multiflora |
Authors of publication | Tian, Dong Song; Yi, Ping; Xia, Lei; Xiao, Xin; Fan, Yi Min; Gu, Wei; Huang, Lie Jun; Ben-David, Yaacov; Di, Ying Tong; Yuan, Chun Mao; Hao, Xiao Jiang |
Journal of publication | Organic Letters |
Year of publication | 2016 |
a | 10.923 ± 0.001 Å |
b | 14.1551 ± 0.0012 Å |
c | 14.1908 ± 0.0012 Å |
α | 108.623 ± 0.003° |
β | 93.277 ± 0.003° |
γ | 90.412 ± 0.003° |
Cell volume | 2075.1 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0744 |
Residual factor for significantly intense reflections | 0.0631 |
Weighted residual factors for significantly intense reflections | 0.1951 |
Weighted residual factors for all reflections included in the refinement | 0.2087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/1544540.html
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Users of the data should acknowledge the original authors of the
structural data.