Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4111200
Preview
| Coordinates | 4111200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C40 H30 N2 |
|---|---|
| Calculated formula | C40 H30 N2 |
| SMILES | N1(c2ccccc2)c2ccc(cc2)C=Cc2ccc(N(c3ccccc3)c3ccc(cc3)C=Cc3ccc1cc3)cc2 |
| Title of publication | A Cyclic Triphenylamine Dimer for Organic Field-Effect Transistors with High Performance |
| Authors of publication | Yabin Song; Chong'an Di; Xiaodi Yang; Shouping Li; Wei Xu; Yunqi Liu; Lianming Yang; Zhigang Shuai; Deqing Zhang; Daoben Zhu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 15940 - 15941 |
| a | 10.642 ± 0.002 Å |
| b | 10.657 ± 0.002 Å |
| c | 13.974 ± 0.003 Å |
| α | 103.89 ± 0.003° |
| β | 105.111 ± 0.003° |
| γ | 90.892 ± 0.003° |
| Cell volume | 1480.1 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 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 | 0.0734 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.1343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4111200.cif |
| 178883 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/12. |
4111200.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4111200.cif |
| 60725 | 2012-06-18 | cif/ Adding structures of 4111200 via cif-deposit CGI script. |
4111200.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.