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Information card for entry 1564219
Preview
| Coordinates | 1564219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H32 O7 |
|---|---|
| Calculated formula | C34 H32 O7 |
| SMILES | O1c2c([C@@H]3C[C@H](O[C@@]1(CCc1ccccc1)C3)C[C@@H]1OC(=O)C=CC1)c1O[C@@H](c3ccccc3)CC(=O)c1c(O)c2 |
| Title of publication | Cryptoyunnanones A‒H, Complex Flavanones from Cryptocarya yunnanensis |
| Authors of publication | He, Qian; Fan, Yue; Liu, Yu; Rao, Li; You, Yun-Xia; Su, Yu; Zhou, Zhen; Xu, You-Kai; Zhang, Chuan-Rui |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2021 |
| a | 11.7559 ± 0.0002 Å |
| b | 14.8246 ± 0.0003 Å |
| c | 15.3854 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2681.31 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0573 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267650 (current) | 2021-07-21 | cif/ Adding structures of 1564219 via cif-deposit CGI script. |
1564219.cif |
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Users of the data should acknowledge the original authors of the
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