Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7243537
Preview
Coordinates | 7243537.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2,3-di-m-tolylquinoxaline |
---|---|
Formula | C22 H18 N2 |
Calculated formula | C22 H18 N2 |
Title of publication | Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding |
Authors of publication | Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C. |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 40 |
Pages of publication | 7108 - 7117 |
a | 12.313 ± 0.004 Å |
b | 7.563 ± 0.002 Å |
c | 17.916 ± 0.005 Å |
α | 90° |
β | 102.333 ± 0.011° |
γ | 90° |
Cell volume | 1629.9 ± 0.8 Å3 |
Cell temperature | 99.78 K |
Ambient diffraction temperature | 99.78 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1509 |
Residual factor for significantly intense reflections | 0.085 |
Weighted residual factors for significantly intense reflections | 0.2017 |
Weighted residual factors for all reflections included in the refinement | 0.2449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/7243537.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.