Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7115572
Preview
Coordinates | 7115572.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H54 N4 O6 |
---|---|
Calculated formula | C52 H54 N4 O6 |
Title of publication | Methoxy functionalisation: exerting synthetic control of the supramolecular and electronic structure of nitrogen-doped nanographenes |
Authors of publication | Lankani P. Wijesinghe; Buddhie S. Lankage; Gearoid M. O Maille; Sarath D. Perera; Deanne Nolan; Longsheng Wang; Sylvia M. Draper |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 10637 |
a | 13.586 ± 0.012 Å |
b | 11.951 ± 0.011 Å |
c | 31.96 ± 0.03 Å |
α | 90° |
β | 94.14 ± 0.02° |
γ | 90° |
Cell volume | 5176 ± 8 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1796 |
Residual factor for significantly intense reflections | 0.0732 |
Weighted residual factors for significantly intense reflections | 0.1673 |
Weighted residual factors for all reflections included in the refinement | 0.2082 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7115572.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.