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Information card for entry 1557525
Preview
Coordinates | 1557525.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 O11 |
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Calculated formula | C18 H18 O11 |
SMILES | o1c2c3c(c(c1=O)CC(=O)OCC)C(O)(C(=O)OCC)C(=O)c3cc(O)c2O.O |
Title of publication | Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta |
Authors of publication | Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong |
Journal of publication | Journal of Natural Products |
Year of publication | 2020 |
a | 9.1273 ± 0.0005 Å |
b | 9.5041 ± 0.0006 Å |
c | 12.0575 ± 0.0009 Å |
α | 107.857 ± 0.006° |
β | 90.985 ± 0.005° |
γ | 111.419 ± 0.005° |
Cell volume | 916.9 ± 0.12 Å3 |
Cell temperature | 200 ± 0.1 K |
Ambient diffraction temperature | 200 ± 0.1 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 | 0.0612 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.107 |
Weighted residual factors for all reflections included in the refinement | 0.116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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