Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518487
Preview
| Coordinates | 1518487.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H24 O6 |
|---|---|
| Calculated formula | C24 H24 O6 |
| SMILES | O1[C@@H]2c3ccccc3C3=C([C@H]4[C@@H](C3=O)[C@H]3C[C@@H]4CC3)[C@H]1CC2(C(=O)OC)C(=O)OC.O1[C@H]2c3ccccc3C3=C([C@@H]4[C@H](C3=O)[C@@H]3C[C@H]4CC3)[C@@H]1CC2(C(=O)OC)C(=O)OC |
| Title of publication | Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons. |
| Authors of publication | Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 2 |
| Pages of publication | 218 - 221 |
| a | 17.142 ± 0.003 Å |
| b | 9.0363 ± 0.0018 Å |
| c | 12.653 ± 0.003 Å |
| α | 90° |
| β | 90.03 ± 0.03° |
| γ | 90° |
| Cell volume | 1960 ± 0.7 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518487.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. |
1518487.cif |
| 130820 | 2015-02-04 | cif/ Updating files of 1518487, 1518488, 1518489 Original log message: Adding full bibliography for 1518487--1518489.cif. |
1518487.cif |
| 129266 | 2014-12-30 | cif/ Adding structures of 1518487 via cif-deposit CGI script. |
1518487.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.