Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015240
Preview
Coordinates | 7015240.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H20 N4 O2 |
---|---|
Calculated formula | C26 H20 N4 O2 |
SMILES | C1(=O)c2c(ccc(c2C(=O)c2ccccc12)NCc1cccnc1)NCc1cccnc1 |
Title of publication | Amino-anthraquinone chromophores functionalised with 3-picolyl units: structures, luminescence, DFT and their coordination chemistry with cationic Re(I) di-imine complexes. |
Authors of publication | Jones, Jennifer E.; Kariuki, Benson M.; Ward, Benjamin D.; Pope, Simon J. A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 14 |
Pages of publication | 3498 - 3509 |
a | 11.3845 ± 0.0005 Å |
b | 13.6381 ± 0.0005 Å |
c | 13.7772 ± 0.0004 Å |
α | 94.236 ± 0.002° |
β | 92.655 ± 0.002° |
γ | 110.176 ± 0.002° |
Cell volume | 1996.45 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1753 |
Residual factor for significantly intense reflections | 0.0942 |
Weighted residual factors for significantly intense reflections | 0.2082 |
Weighted residual factors for all reflections included in the refinement | 0.2545 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/7015240.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.