Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2311154
Preview
Coordinates | 2311154.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 4-(4,5-Diphenyl-1<i>H</i>-imidazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline |
---|---|
Formula | C23 H21 N3 |
Calculated formula | C23 H21 N3 |
SMILES | n1c([nH]c(c1c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1 |
Title of publication | 4-(4,5-Diphenyl-1H-imidazol-2-yl)-N,N-di-methyl-aniline. |
Authors of publication | Prabhuswamy, M.; Viveka, S.; Madan Kumar, S.; Nagaraja, G. K.; Lokanath, N. K. |
Journal of publication | Acta crystallographica. Section E, Structure reports online |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | Pt 7 |
Pages of publication | o1006 |
a | 15.228 ± 0.004 Å |
b | 15.215 ± 0.004 Å |
c | 17.641 ± 0.004 Å |
α | 90° |
β | 110.974 ± 0.004° |
γ | 90° |
Cell volume | 3816.5 ± 1.7 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 3 |
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 | 0.1301 |
Residual factor for significantly intense reflections | 0.07 |
Weighted residual factors for significantly intense reflections | 0.1468 |
Weighted residual factors for all reflections included in the refinement | 0.1745 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2311154.html
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.