Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4037603
Preview
| Coordinates | 4037603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | '5,5'-Dibromo-3,3'-diiodo-[4,4']bipyridinyl' |
|---|---|
| Formula | C10 H4 Br2 I2 N2 |
| Calculated formula | C10 H4 Br2 I2 N2 |
| Title of publication | Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines. |
| Authors of publication | Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2012 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 2579 - 2583 |
| a | 8.078 ± 0.0001 Å |
| b | 11.2993 ± 0.0001 Å |
| c | 15.5039 ± 0.0002 Å |
| α | 102.689 ± 0.001° |
| β | 98.153 ± 0.001° |
| γ | 90.893 ± 0.001° |
| Cell volume | 1365.01 ± 0.03 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0685 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243442 (current) | 2019-11-26 | cif/ Adding structures of 4037603 via cif-deposit CGI script. |
4037603.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.