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Information card for entry 1502794
Preview
| Coordinates | 1502794.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H48 O13 |
|---|---|
| Calculated formula | C30 H48 O13 |
| SMILES | O1[C@@H]2CC(=O)O[C@@]32[C@H](C1(C)C)CC[C@@H]1[C@@]2(O[C@](O)(C1=O)[C@@H]1[C@](CC2)([C@@H]1[C@H](C)[C@H](O)[C@H]1OC(=O)[C@@H](C1)C)C)[C@@H]3O.O.O.CO |
| Title of publication | Nortriterpene lactones from the fruits of Schisandra arisanensis. |
| Authors of publication | Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, Yi-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Hwang, Tsong-Long; Shen, Ya-Ching |
| Journal of publication | Journal of natural products |
| Year of publication | 2010 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 1228 - 1233 |
| a | 9.1827 ± 0.0005 Å |
| b | 18.1165 ± 0.0013 Å |
| c | 18.6612 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3104.4 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 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 | 0.0904 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1578 |
| Weighted residual factors for all reflections included in the refinement | 0.1742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1502794.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. |
1502794.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502794.cif |
| 36754 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1502794 via cif-deposit CGI script. |
1502794.cif |
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Users of the data should acknowledge the original authors of the
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