Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7207500
Preview
| Coordinates | 7207500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H33 Cl2 N |
|---|---|
| Calculated formula | C45 H33 Cl2 N |
| SMILES | n1(c2ccccc2c2ccccc12)c1ccc(cc1)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.C(Cl)Cl |
| Title of publication | Using tetraphenylethene and carbazole to create efficient luminophores with aggregation-induced emission, high thermal stability, and good hole-transporting property |
| Authors of publication | Zhao, Zujin; Chan, Carrie Y. K.; Chen, Shuming; Deng, Chunmei; Lam, Jacky W. Y.; Jim, Cathy K. W.; Hong, Yuning; Lu, Ping; Chang, Zhengfeng; Chen, Xiaopeng; Lu, Ping; Kwok, Hoi Sing; Qiu, Huayu; Tang, Ben Zhong |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 10 |
| Pages of publication | 4527 |
| a | 21.295 ± 0.002 Å |
| b | 16.3989 ± 0.0019 Å |
| c | 9.7404 ± 0.0011 Å |
| α | 90° |
| β | 98.263 ± 0.002° |
| γ | 90° |
| Cell volume | 3366.2 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0886 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1637 |
| Weighted residual factors for all reflections included in the refinement | 0.1743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207500.cif |
| 180406 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/75. |
7207500.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207500.cif |
| 37707 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7207500 via cif-deposit CGI script. |
7207500.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.