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Information card for entry 1503701
Preview
| Coordinates | 1503701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H38 O12 |
|---|---|
| Calculated formula | C29 H38 O12 |
| SMILES | O1[C@@H]2CC(=O)O[C@@]32[C@H]([C@@]1(CO)C)CC[C@]1(O)[C@@]2(O[C@]4(O[C@]5(OC(=O)[C@H](C5)C)[C@@H]5[C@H]4[C@](CC2)(C(=O)[C@H]5C)C)C1=O)C3.O |
| Title of publication | Bioactive Nortriterpenoids from Schisandra grandiflora. |
| Authors of publication | Xiao, Wei-Lie; Gong, Yan-Qing; Wang, Rui-Rui; Weng, Zhi-Ying; Luo, Xiao; Li, Xiao-Nian; Yang, Guang-Yu; He, Fei; Pu, Jian-Xin; Yang, Liu-Meng; Zheng, Yong-Tang; Lu, Yang; Sun, Han-Dong |
| Journal of publication | Journal of natural products |
| Year of publication | 2009 |
| Journal volume | 72 |
| Journal issue | 9 |
| Pages of publication | 1678 - 1681 |
| a | 12.406 ± 0.001 Å |
| b | 13.593 ± 0.001 Å |
| c | 16.49 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2780.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0605 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1369 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1503701.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503701.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503701.cif |
| 39000 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503701 via cif-deposit CGI script. |
1503701.cif |
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Users of the data should acknowledge the original authors of the
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