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Information card for entry 1501928
Preview
| Coordinates | 1501928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H22 O7 |
|---|---|
| Calculated formula | C27 H22 O7 |
| SMILES | O=C(OC)C1(CC(=O)c2c(cc(O)c(c2C(=O)c2ccccc2)c2ccccc2)C1)C(=O)OC |
| Title of publication | Rhodium-catalyzed tandem heterocyclization and carbonylative [(3+2)+1] cyclization of diyne-enones. |
| Authors of publication | Zhao, Wanxiang; Zhang, Junliang |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 4 |
| Pages of publication | 688 - 691 |
| a | 9.6288 ± 0.0004 Å |
| b | 10.5846 ± 0.0004 Å |
| c | 11.482 ± 0.0004 Å |
| α | 75.515 ± 0.001° |
| β | 80.586 ± 0.001° |
| γ | 83.926 ± 0.001° |
| Cell volume | 1115.17 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1501928.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. |
1501928.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501928.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501928.cif |
| 35269 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501928 via cif-deposit CGI script. |
1501928.cif |
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Users of the data should acknowledge the original authors of the
structural data.