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Information card for entry 1556386
Preview
| Coordinates | 1556386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H27 N |
|---|---|
| Calculated formula | C21 H27 N |
| SMILES | n1(c2ccc(cc2c2c(cc(c(c12)C)C)CCCC)C)CC |
| Title of publication | Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4 |
| Authors of publication | Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming |
| Journal of publication | Org. Chem. Front. |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | 62 |
| a | 9.2391 ± 0.0003 Å |
| b | 17.1518 ± 0.0006 Å |
| c | 22.2035 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3518.53 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| 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 |
|---|---|---|---|
| 244429 (current) | 2019-11-28 | cif/ Adding structures of 1556386, 1556387 via cif-deposit CGI script. |
1556386.cif |
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Users of the data should acknowledge the original authors of the
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