Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106978
Preview
| Coordinates | 8106978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 N4 O5 |
|---|---|
| Calculated formula | C26 H24 N4 O5 |
| Title of publication | Crystal structure of 2-[4-(1H-imidazol-1-yl)phenyl]-1H-benzimidazol-3-ium [2-(carboxymethyl)phenyl]acetate monohydrate, C26H24N4O5 |
| Authors of publication | Guang-Zhen, Liu; Xin-Wei, Li; Yun-Ping, Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 689 - 691 |
| a | 8.0382 ± 0.0005 Å |
| b | 10.0185 ± 0.0006 Å |
| c | 15.2333 ± 0.0009 Å |
| α | 81.853 ± 0.002° |
| β | 76.189 ± 0.002° |
| γ | 84.7 ± 0.002° |
| Cell volume | 1177.07 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1267 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282040 (current) | 2023-03-24 | cif/ Adding structures of 8106978 via cif-deposit CGI script. |
8106978.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.