Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2009773
Preview
Coordinates | 2009773.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1,2,3,4-tetrafluoro-7-ethoxyacridine |
---|---|
Formula | C14 H7 F4 N O |
Calculated formula | C14 H7 F4 N O |
SMILES | COc1ccc2c(c1)cc1c(n2)c(F)c(c(c1F)F)F |
Title of publication | <i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pentafluorobenzaldehyde with <i>para</i>-substituted anilines |
Authors of publication | Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1994 |
Journal volume | 50 |
Journal issue | 6 |
Pages of publication | 967 - 971 |
a | 7.366 ± 0.007 Å |
b | 12.411 ± 0.002 Å |
c | 6.312 ± 0.002 Å |
α | 100.13 ± 0.02° |
β | 94.28 ± 0.05° |
γ | 86.69 ± 0.04° |
Cell volume | 565.9 ± 0.6 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 22 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0779 |
Weighted residual factors for significantly intense reflections | 0.0883 |
Goodness-of-fit parameter for significantly intense reflections | 3.237 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/2009773.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.