Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7237133
Preview
Coordinates | 7237133.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | NDT |
---|---|
Formula | C58 H50 Cl4 N2 O6 S2 |
Calculated formula | C56 N2 O6 S2 |
Title of publication | Naphtho[1,2-b:4,3-b′]dithiophene-based hole transporting materials for high-performance perovskite solar cells: molecular engineering and opto-electronic properties |
Authors of publication | Cui, Bin-Bin; Yang, Ning; Shi, Congbo; Yang, Shuangshuang; Shao, Jiang-Yang; Han, Ying; Zhang, Liuzhu; Zhang, Qingshan; Zhong, Yu-Wu; Chen, Qi |
Journal of publication | Journal of Materials Chemistry A |
Year of publication | 2018 |
Journal volume | 6 |
Journal issue | 21 |
Pages of publication | 10057 |
a | 11.237 ± 0.002 Å |
b | 12.606 ± 0.003 Å |
c | 19.298 ± 0.004 Å |
α | 90.32 ± 0.03° |
β | 95.79 ± 0.03° |
γ | 109.07 ± 0.03° |
Cell volume | 2568.3 ± 1.1 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153.15 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.076 |
Residual factor for significantly intense reflections | 0.0656 |
Weighted residual factors for significantly intense reflections | 0.1982 |
Weighted residual factors for all reflections included in the refinement | 0.2237 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7237133.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.