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Information card for entry 1520640
Preview
| Coordinates | 1520640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H32 N2 O4 S |
|---|---|
| Calculated formula | C35 H32 N2 O4 S |
| SMILES | S(=O)(=O)(N(/C=C/1[C@H](C=C2[C@@H](N(c3c2cccc3)C(=O)OCC)C1)c1ccccc1)c1ccccc1)c1ccc(cc1)C |
| Title of publication | Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects |
| Authors of publication | Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 5564 |
| a | 6.0633 ± 0.0002 Å |
| b | 11.5428 ± 0.0004 Å |
| c | 42.4729 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2972.57 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0457 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 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. |
1520640.cif |
| 170944 | 2015-12-09 | cif/ Updating files of 1520639, 1520640 Original log message: Adding full bibliography for 1520639--1520640.cif. |
1520640.cif |
| 139535 | 2015-06-24 | cif/ Adding structures of 1520639, 1520640 via cif-deposit CGI script. |
1520640.cif |
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Users of the data should acknowledge the original authors of the
structural data.