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Information card for entry 1520616
Preview
| Coordinates | 1520616.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H31 N O5 |
|---|---|
| Calculated formula | C37 H31 N O5 |
| SMILES | C(#N)c1ccc(cc1)C(=O)[C@@H]1[C@H]([C@H]2[C@@H](c3c1cc(c(c3)OC)OC)[C@@H](C(=O)CC2)C(=O)c1ccccc1)c1ccccc1.C(#N)c1ccc(cc1)C(=O)[C@H]1[C@@H]([C@@H]2[C@H](c3c1cc(c(c3)OC)OC)[C@H](C(=O)CC2)C(=O)c1ccccc1)c1ccccc1 |
| Title of publication | Efficient Synthesis of Octahydrophenanthrene Derivatives with Mild Cascade Reactions of Isochromenylium Tetrafluoroborates and Bifunctional Styrenes. |
| Authors of publication | Mo, Lei; Wu, Lin-Lin; Wang, Shaozhong; Yao, Zhu-Jun |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 13 |
| Pages of publication | 3314 - 3317 |
| a | 11.364 ± 0.005 Å |
| b | 10.93 ± 0.005 Å |
| c | 24.447 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 96.564 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 3017 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0763 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.1617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| 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. |
1520616.cif |
| 152905 | 2015-08-05 | cif/ Updating files of 1520616 Original log message: Adding full bibliography for 1520616.cif. |
1520616.cif |
| 139490 | 2015-06-23 | cif/ Adding structures of 1520616 via cif-deposit CGI script. |
1520616.cif |
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Users of the data should acknowledge the original authors of the
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