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Information card for entry 1562348
Preview
Coordinates | 1562348.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | NATPP0097 |
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Formula | C33.5 H40 O11.5 |
Calculated formula | C33.5 H40 O11.5 |
SMILES | Oc1cc(c(c2c(cc(O)c3c2O[C@]2([C@H](O)[C@@H](OC)CC=C2C3=O)C)C)c2O[C@]3([C@H](O)[C@@H](OC)CC=C3C(=O)c12)C)C.OC.OC |
Title of publication | Bioactive Dimeric Tetrahydroxanthones with 2,2'- and 4,4'-Axial Linkages from the Entomopathogenic Fungus <i>Aschersonia confluens</i>. |
Authors of publication | Sadorn, Karoon; Saepua, Siriporn; Boonyuen, Nattawut; Choowong, Wilunda; Rachtawee, Pranee; Pittayakhajonwut, Pattama |
Journal of publication | Journal of natural products |
Year of publication | 2021 |
Journal volume | 84 |
Journal issue | 4 |
Pages of publication | 1149 - 1162 |
a | 11.938 ± 0.003 Å |
b | 12.782 ± 0.003 Å |
c | 12.925 ± 0.003 Å |
α | 118.386 ± 0.007° |
β | 92.327 ± 0.009° |
γ | 114.237 ± 0.008° |
Cell volume | 1512.3 ± 0.7 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0455 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1312 |
Weighted residual factors for all reflections included in the refinement | 0.1323 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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