Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4119145
Preview
Coordinates | 4119145.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H58 F24 N6 P4 |
---|---|
Calculated formula | C70 H58 F24 N6 P4 |
Title of publication | ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger |
Authors of publication | Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 183 - 192 |
a | 10.5607 ± 0.0006 Å |
b | 11.1014 ± 0.0006 Å |
c | 18.0247 ± 0.0011 Å |
α | 72.955 ± 0.004° |
β | 82.376 ± 0.005° |
γ | 63.569 ± 0.004° |
Cell volume | 1809.17 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1656 |
Residual factor for significantly intense reflections | 0.1251 |
Weighted residual factors for significantly intense reflections | 0.3593 |
Weighted residual factors for all reflections included in the refinement | 0.3872 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.444 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4119145.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.