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Information card for entry 1518489
Preview
| Coordinates | 1518489.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H14 Co2 O11 |
|---|---|
| Calculated formula | C22 H14 Co2 O11 |
| SMILES | [Co]12([Co]3(C#[O])(C#[O])(C#[O])[C]41=[C]23c1ccccc1[C@H]1O[C@@H]4CC1(C(=O)OC)C(=O)OC)(C#[O])(C#[O])C#[O].[Co]12([Co]3(C#[O])(C#[O])(C#[O])[C]41=[C]23c1ccccc1[C@@H]1O[C@H]4CC1(C(=O)OC)C(=O)OC)(C#[O])(C#[O])C#[O] |
| 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 | 8.0572 ± 0.0016 Å |
| b | 8.3258 ± 0.0017 Å |
| c | 17.63 ± 0.004 Å |
| α | 88.79 ± 0.03° |
| β | 84.64 ± 0.03° |
| γ | 75.45 ± 0.03° |
| Cell volume | 1139.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0723 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1518489.cif |
| 130820 | 2015-02-04 | cif/ Updating files of 1518487, 1518488, 1518489 Original log message: Adding full bibliography for 1518487--1518489.cif. |
1518489.cif |
| 129268 | 2014-12-30 | cif/ Adding structures of 1518489 via cif-deposit CGI script. |
1518489.cif |
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Users of the data should acknowledge the original authors of the
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