Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1530391
Preview
| Coordinates | 1530391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H48 O5 |
|---|---|
| Calculated formula | C32 H48 O5 |
| SMILES | O=C(O)/C(=C\CC[C@H]([C@@H]1[C@@]2([C@@](C3=CC[C@H]4C([C@H](OC(=O)C)CC[C@]4(C)[C@@H]3CC2=O)(C)C)(C)CC1)C)C)C |
| Title of publication | Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea. |
| Authors of publication | Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 4616 - 4619 |
| a | 7.3331 ± 0.0001 Å |
| b | 10.1624 ± 0.0002 Å |
| c | 19.3573 ± 0.0003 Å |
| α | 90° |
| β | 97.23° |
| γ | 90° |
| Cell volume | 1431.07 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1036 |
| Residual factor for significantly intense reflections | 0.1026 |
| Weighted residual factors for significantly intense reflections | 0.2723 |
| Weighted residual factors for all reflections included in the refinement | 0.2762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.366 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1530391.cif |
| 160562 | 2015-10-06 | cif/ Updating files of 1530390, 1530391, 1530392, 1530393 Original log message: Adding full bibliography for 1530390--1530393.cif. |
1530391.cif |
| 155478 | 2015-09-09 | cif/ Adding structures of 1530391 via cif-deposit CGI script. |
1530391.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.