Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106386
Preview
Coordinates | 8106386.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H44 N6 |
---|---|
Calculated formula | C66 H44 N6 |
Title of publication | Crystal structure of 4,4′-(4,10-diphenyl-4,10-dihydropyreno[4,5-d:9,10-d′]diimidazole-5,11-diyl)bis(N,N-diphenylaniline), C66H44N6 |
Authors of publication | Liu, Yulong; Dong, Zhaojia; Guo, Youquan; Fu, Ying |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 233 |
Journal issue | 6 |
Pages of publication | 1025 - 1027 |
a | 9.773 ± 0.002 Å |
b | 14.406 ± 0.003 Å |
c | 18.385 ± 0.004 Å |
α | 72.64 ± 0.03° |
β | 82.1 ± 0.03° |
γ | 76.9 ± 0.03° |
Cell volume | 2399.4 ± 1 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.1293 |
Residual factor for significantly intense reflections | 0.0546 |
Weighted residual factors for significantly intense reflections | 0.1165 |
Weighted residual factors for all reflections included in the refinement | 0.1559 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
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/8106386.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.