Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4036329
Preview
| Coordinates | 4036329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 N2 |
|---|---|
| Calculated formula | C18 H18 N2 |
| Title of publication | A [2 + 3] Reductive Cyclodimerization of Quinoline by SmI2. |
| Authors of publication | Yella, Ramesh; Gottlieb, Hugo E.; Hoz, Shmaryahu |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 17 |
| Pages of publication | 8929 - 8932 |
| a | 26.293 ± 0.003 Å |
| b | 26.293 ± 0.003 Å |
| c | 10.119 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6058.3 ± 1.5 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1227 |
| Residual factor for significantly intense reflections | 0.121 |
| Weighted residual factors for significantly intense reflections | 0.2358 |
| Weighted residual factors for all reflections included in the refinement | 0.2372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.282 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234557 (current) | 2019-11-23 | cif/ Adding structures of 4036329 via cif-deposit CGI script. |
4036329.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.