Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518491
Preview
| Coordinates | 4518491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H52 Br2 |
|---|---|
| Calculated formula | C49 H52 Br2 |
| Title of publication | Correction to “Incorporation of 1,3-Free-2,6-Connected Azulene Units into the Backbone of Conjugated Polymers: Improving Proton Responsiveness and Electrical Conductivity’’ |
| Authors of publication | Gao, Honglei; Ge, Congwu; Hou, Bin; Xin, Hanshen; Gao, Xike |
| Journal of publication | ACS Macro Letters |
| Year of publication | 2021 |
| Pages of publication | 312 - 312 |
| a | 8.3204 ± 0.0004 Å |
| b | 15.5192 ± 0.0007 Å |
| c | 16.447 ± 0.001 Å |
| α | 73.735 ± 0.004° |
| β | 80.49 ± 0.003° |
| γ | 80.842 ± 0.002° |
| Cell volume | 1996.37 ± 0.18 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170.03 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1409 |
| Residual factor for significantly intense reflections | 0.1187 |
| Weighted residual factors for significantly intense reflections | 0.2711 |
| Weighted residual factors for all reflections included in the refinement | 0.2858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261830 (current) | 2021-02-07 | cif/ Adding structures of 4518491 via cif-deposit CGI script. |
4518491.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.