Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4033320
Preview
| Coordinates | 4033320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H14 I N |
|---|---|
| Calculated formula | C21 H14 I N |
| Title of publication | Preparation of 3-Iodoquinolines from N-Tosyl-2-propynylamines with Diaryliodonium Triflate and N-Iodosuccinimide. |
| Authors of publication | Sasaki, Teppei; Moriyama, Katsuhiko; Togo, Hideo |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 22 |
| Pages of publication | 11727 - 11734 |
| a | 13.1542 ± 0.0017 Å |
| b | 5.9354 ± 0.0008 Å |
| c | 21.289 ± 0.003 Å |
| α | 90° |
| β | 99.3213 ± 0.0016° |
| γ | 90° |
| Cell volume | 1640.2 ± 0.4 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0482 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0837 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204749 (current) | 2018-01-05 | cif/ Adding structures of 4033320 via cif-deposit CGI script. |
4033320.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.