Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7203759
Preview
Coordinates | 7203759.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 4,5-dicyano-2,7-dinitrofluorenone |
---|---|
Formula | C15 H4 N4 O5 |
Calculated formula | C15 H4 N4 O5 |
SMILES | c1c(cc(c2c3c(cc(cc3C(=O)c12)N(=O)=O)C#N)C#N)N(=O)=O |
Title of publication | Ultra-deep desulfurization of transportation fuels via charge-transfer complexes under ambient conditions |
Authors of publication | Sévignon, Marc; Macaud, Mathieu; Favre-Réguillon, Alain; Schulz, Jürgen; Rocault, Muriel; Faure, René; Vrinat, Michel; Lemaire, Marc |
Journal of publication | Green Chemistry |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 6 |
Pages of publication | 413 |
a | 14.169 ± 0.0008 Å |
b | 6.451 ± 0.0004 Å |
c | 15.238 ± 0.0011 Å |
α | 90° |
β | 110.614 ± 0.002° |
γ | 90° |
Cell volume | 1303.64 ± 0.15 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.0906 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.1332 |
Weighted residual factors for all reflections included in the refinement | 0.1553 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.7107 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/7203759.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.