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Information card for entry 1540598
Preview
| Coordinates | 1540598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H21 N Si |
|---|---|
| Calculated formula | C21 H21 N Si |
| SMILES | [Si](c1c(c2c(n3c1ccc3)cccc2)c1ccccc1)(C)(C)C |
| Title of publication | Cyclopentadiene-Phosphine/Palladium-Catalyzed Synthesis of Indolizines from Pyrrole and 1,4-Dibromo-1,3-butadienes. |
| Authors of publication | Hao, Wei; Wang, Han; Ye, Qingyu; Zhang, Wen-Xiong; Xi, Zhenfeng |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 22 |
| Pages of publication | 5674 - 5677 |
| a | 10.2204 ± 0.0005 Å |
| b | 10.3756 ± 0.0007 Å |
| c | 18.4485 ± 0.0012 Å |
| α | 95.235 ± 0.005° |
| β | 105.12 ± 0.005° |
| γ | 108.782 ± 0.005° |
| Cell volume | 1754.9 ± 0.2 Å3 |
| Cell temperature | 180 ± 0.1 K |
| Ambient diffraction temperature | 180 ± 0.1 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 | 0.0984 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1487 |
| Weighted residual factors for all reflections included in the refinement | 0.1689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170747 (current) | 2015-12-06 | cif/ Adding structures of 1540598 via cif-deposit CGI script. |
1540598.cif |
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