Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7236201
Preview
Coordinates | 7236201.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H17 B F4 N2 |
---|---|
Calculated formula | C29 H17 B F4 N2 |
Title of publication | Synthesis, structure and photophysical properties of near-infrared 3,5-diarylbenzoBODIPY fluorophores |
Authors of publication | Wang, Jun; Wu, Qinghua; Xu, Yajun; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan |
Journal of publication | RSC Advances |
Year of publication | 2016 |
Journal volume | 6 |
Journal issue | 57 |
Pages of publication | 52180 |
a | 12.1936 ± 0.0018 Å |
b | 15.062 ± 0.002 Å |
c | 12.2515 ± 0.0018 Å |
α | 90° |
β | 97.131 ± 0.002° |
γ | 90° |
Cell volume | 2232.7 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0873 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1215 |
Weighted residual factors for all reflections included in the refinement | 0.1418 |
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 |
---|---|---|---|
235258 (current) | 2019-11-23 | cif/ Adding structures of 7236200, 7236201, 7236202 via cif-deposit CGI script. |
7236201.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.