Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557252
Preview
| Coordinates | 1557252.cif |
|---|---|
| Structure factors | 1557252.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol |
|---|---|
| Formula | C29 H23 Cl N2 O |
| Calculated formula | C29 H23 Cl N2 O |
| SMILES | Clc1ccc(O)c(c2nc(c(n2c2ccc(cc2)CC)c2ccccc2)c2ccccc2)c1 |
| Title of publication | 4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol |
| Authors of publication | Shraddha, K. N.; Devika, S.; Begum, Noor Shahina |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 1 |
| Pages of publication | x191690 |
| a | 9.0627 ± 0.0006 Å |
| b | 10.7595 ± 0.0008 Å |
| c | 24.4636 ± 0.0019 Å |
| α | 90° |
| β | 100.599 ± 0.003° |
| γ | 90° |
| Cell volume | 2344.7 ± 0.3 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0699 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| 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 | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247886 (current) | 2020-02-05 | cif/ hkl/ Adding structures of 1557252 via cif-deposit CGI script. |
1557252.cif 1557252.hkl |
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.