Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1507154
Preview
| Coordinates | 1507154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C27 H36 O9 |
|---|---|
| Calculated formula | C27 H36 O9 |
| SMILES | O1C(C=C(C1=O)C)=C[C@@H]([C@]12[C@]([C@@H]3[C@H](O2)[C@@H]2[C@@](O)(C[C@H]4[C@@H](CC2)C(OC4=O)(C)C)C3)(C)CC(=O)O1)C.O |
| Title of publication | Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia. |
| Authors of publication | Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong |
| Journal of publication | Organic Letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 1286 - 1289 |
| a | 10.243 ± 0.0004 Å |
| b | 10.5955 ± 0.0005 Å |
| c | 23.2804 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2526.61 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0341 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| 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. |
1507154.cif |
| 218683 | 2019-09-22 | cif/1/ Updated bibliographic information in entries 1507152-1507154, 1516096. |
1507154.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507154.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. |
1507154.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507154.cif |
| 51886 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507154 via cif-deposit CGI script. |
1507154.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.