Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2001461
Preview
| Coordinates | 2001461.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | α-phenyl-4'-bis(4-methylphenyl)-amino-stilbene |
|---|---|
| Formula | C34 H29 N |
| Calculated formula | C34 H29 N |
| SMILES | N(c1ccc(cc1)C=C(c1ccccc1)c1ccccc1)(c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | Structures of α-phenyl-amino-stilbene derivatives |
| Authors of publication | Chiba, E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1993 |
| Journal volume | 49 |
| Journal issue | 8 |
| Pages of publication | 1511 - 1514 |
| a | 25.126 ± 0.004 Å |
| b | 18.96 ± 0.002 Å |
| c | 11.014 ± 0.002 Å |
| α | 90° |
| β | 94.22 ± 0.01° |
| γ | 90° |
| Cell volume | 5232.7 ± 1.4 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 | 0.079 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections | 0.076 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Goodness-of-fit parameter for all reflections | 2.29 |
| Goodness-of-fit parameter for significantly intense reflections | 2.29 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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/2001461.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.