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Information card for entry 1545571
Preview
| Coordinates | 1545571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H101 O23 |
|---|---|
| Calculated formula | C63 H101 O23 |
| SMILES | O[C@H]1[C@H](O[C@@H]2[C@H](O[C@@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4[C@@H](OC)C[C@H](O[C@H]5[C@H](OC)C[C@]6(O[C@H]7[C@H](OCO6)C[C@H](O[C@H]([C@]6(O)[C@]8(CC[C@@H]9[C@]%10(CC[C@H](O)CC%10=CC[C@H]9[C@@H]8CC6)C)C)C)O[C@@H]7C)O[C@@H]5C)O[C@@H]4C)O[C@@H]3C)C[C@@H]2OC)C)O[C@@H]([C@H](O)[C@@H]1OC)C |
| Title of publication | Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities. |
| Authors of publication | Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min |
| Journal of publication | Journal of natural products |
| Year of publication | 2017 |
| Journal volume | 80 |
| Journal issue | 4 |
| Pages of publication | 1102 - 1109 |
| a | 11.5223 ± 0.0005 Å |
| b | 11.5593 ± 0.0005 Å |
| c | 14.854 ± 0.0006 Å |
| α | 109.544 ± 0.002° |
| β | 94.088 ± 0.002° |
| γ | 113.055 ± 0.002° |
| Cell volume | 1668.16 ± 0.13 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 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 | 0.0422 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196136 (current) | 2017-05-05 | cif/ Updating files of 1545571 Original log message: Adding full bibliography for 1545571.cif. |
1545571.cif |
| 194271 | 2017-03-16 | cif/ Adding structures of 1545571 via cif-deposit CGI script. |
1545571.cif |
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Users of the data should acknowledge the original authors of the
structural data.