Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4031768
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4031768.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H50 B F20 N2 O4 |
---|---|
Calculated formula | C73.9994 H49.9986 B F20 N2 O4 |
Title of publication | Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene. |
Authors of publication | Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 1 |
Pages of publication | 137 - 145 |
a | 14.7965 ± 0.001 Å |
b | 15.5327 ± 0.001 Å |
c | 16.1201 ± 0.0011 Å |
α | 92.062 ± 0.006° |
β | 93.177 ± 0.006° |
γ | 92.837 ± 0.006° |
Cell volume | 3691.9 ± 0.4 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 293 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 | 0.163 |
Residual factor for significantly intense reflections | 0.0757 |
Weighted residual factors for significantly intense reflections | 0.1856 |
Weighted residual factors for all reflections included in the refinement | 0.2468 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 1.54187 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/4031768.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.