Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558277
Preview
Coordinates | 1558277.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine |
---|---|
Formula | C14 H9 N7 O1.7 |
Calculated formula | C14 H9 N7 O1.7 |
Title of publication | Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs |
Authors of publication | Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara |
Journal of publication | Chemical Science |
Year of publication | 2020 |
a | 3.7357 ± 0.0018 Å |
b | 14.805 ± 0.007 Å |
c | 23.784 ± 0.011 Å |
α | 90° |
β | 90.284 ± 0.007° |
γ | 90° |
Cell volume | 1315.4 ± 1.1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.147 |
Residual factor for significantly intense reflections | 0.0665 |
Weighted residual factors for significantly intense reflections | 0.1518 |
Weighted residual factors for all reflections included in the refinement | 0.1946 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/1558277.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.