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Information card for entry 4037831
Preview
| Coordinates | 4037831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 F2 N |
|---|---|
| Calculated formula | C23 H21 F2 N |
| SMILES | Fc1ccc(C2(CCN(c3c2cc(cc3)C)C)c2ccc(F)cc2)cc1 |
| Title of publication | Diiodomethane-Mediated Generation of <i>N</i>-Aryliminium Ions and Subsequent [4 + 2] Cycloadditions with Olefins. |
| Authors of publication | Zhao, Yu-Quan; Tian, Jun-Jie; Ai, Chong-Ren; Wang, Xiao-Chen |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.9602 ± 0.0018 Å |
| b | 16.318 ± 0.003 Å |
| c | 12.487 ± 0.003 Å |
| α | 90° |
| β | 103.42 ± 0.03° |
| γ | 90° |
| Cell volume | 1775.9 ± 0.7 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0583 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1359 |
| Weighted residual factors for all reflections included in the refinement | 0.1465 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247159 (current) | 2020-01-24 | cif/ Adding structures of 4037831 via cif-deposit CGI script. |
4037831.cif |
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