Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7121292
Preview
Coordinates | 7121292.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H8 O6 |
---|---|
Calculated formula | C20 H8 O6 |
SMILES | C12=C(C(=O)C=CC1=O)C1C3=C(C2C2=C1C(=O)C=CC2=O)C(=O)C=CC3=O |
Title of publication | An exotic band structure of a supramolecular honeycomb lattice formed by a pancake π-π interaction between triradical trianions of triptycene tribenzoquinone. |
Authors of publication | Shuku, Yoshiaki; Mizuno, Asato; Ushiroguchi, Ryo; Hyun, Chang Seok; Ryu, Young Jun; An, Byeong-Kwan; Kwon, Ji Eon; Park, Soo Young; Tsuchiizu, Masahisa; Awaga, Kunio |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 31 |
Pages of publication | 3815 - 3818 |
a | 10.781 ± 0.003 Å |
b | 10.781 ± 0.003 Å |
c | 12.687 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1474.6 ± 0.7 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 3 |
Space group number | 109 |
Hermann-Mauguin space group symbol | I 41 m d |
Hall space group symbol | I 4bw -2 |
Residual factor for all reflections | 0.0293 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0727 |
Weighted residual factors for all reflections included in the refinement | 0.0735 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
Diffraction radiation wavelength | 0.71075 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/7121292.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.