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Information card for entry 1553356
Preview
Coordinates | 1553356.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H48 O10 |
---|---|
Calculated formula | C34 H48 O10 |
SMILES | C(C1=C(O)C(C)(C(=C(C(=O)C(C)C)C1=O)O)C)c1c(O)c(c2O[C@@](CCC=C(C)C)(C)[C@@H](O)Cc2c1O)C(=O)C(C)C.CO.C(C1=C(O)C(C)(C(=C(C(=O)C(C)C)C1=O)O)C)c1c(O)c(c2O[C@](CCC=C(C)C)(C)[C@H](O)Cc2c1O)C(=O)C(C)C.CO |
Title of publication | Antibacterial Dimeric Acylphloroglucinols from Hypericum japonicum. |
Authors of publication | Li, Yan-Ping; Hu, Kun; Yang, Xing-Wei; Xu, Gang |
Journal of publication | Journal of natural products |
Year of publication | 2018 |
Journal volume | 81 |
Journal issue | 4 |
Pages of publication | 1098 - 1102 |
a | 9.8858 ± 0.0002 Å |
b | 12.0145 ± 0.0002 Å |
c | 14.3049 ± 0.0002 Å |
α | 89.442 ± 0.001° |
β | 76.043 ± 0.001° |
γ | 85.25 ± 0.001° |
Cell volume | 1643.12 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.058 |
Residual factor for significantly intense reflections | 0.0572 |
Weighted residual factors for significantly intense reflections | 0.1708 |
Weighted residual factors for all reflections included in the refinement | 0.1719 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/1553356.html
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Users of the data should acknowledge the original authors of the
structural data.