Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555498
Preview
Coordinates | 1555498.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H89 B3 N6 |
---|---|
Calculated formula | C88 H89 B3 N6 |
Title of publication | Triple Boron-Cored Chromophores Bearing Discotic 5,11,17-Triazatrinaphthylene-Based Ligands. |
Authors of publication | Qiu, Feng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Han, Sheng; Zhuang, Xiaodong; Feng, Xinliang |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 6 |
Pages of publication | 1398 - 1401 |
a | 9.8983 ± 0.0007 Å |
b | 28.293 ± 0.002 Å |
c | 24.5786 ± 0.0019 Å |
α | 90° |
β | 96.552 ± 0.007° |
γ | 90° |
Cell volume | 6838.3 ± 0.9 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
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 | 0.1608 |
Residual factor for significantly intense reflections | 0.084 |
Weighted residual factors for significantly intense reflections | 0.2031 |
Weighted residual factors for all reflections included in the refinement | 0.2903 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1555498.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.