Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7117423
Preview
Coordinates | 7117423.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2,3,4-trimethoxybenzo[5,6][1,4]thiazino[2,3,4-kl]phenothiazinyl hexafluoroantimonate, free radical |
---|---|
Formula | C22 H19 Cl2 F6 N O3 S2 Sb |
Calculated formula | C22 H19 Cl2 F6 N O3 S2 Sb |
SMILES | N12c3c(Sc4c1cccc4)cccc3Sc1c2cc(OC)c(OC)c1OC.[F-][Sb](F)(F)(F)(F)F.ClCCl |
Title of publication | Thia-bridged triarylamine heterohelicene radical cations as redox-driven molecular switches |
Authors of publication | S. Menichetti; S. Cecchi; P. Procacci; M. Innocenti; L. Becucci; L. Franco; C. Viglianisi |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 11452 |
a | 9.106 ± 0.001 Å |
b | 10.58 ± 0.001 Å |
c | 15.856 ± 0.001 Å |
α | 102.819 ± 0.005° |
β | 97.906 ± 0.004° |
γ | 112.771 ± 0.005° |
Cell volume | 1330.3 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0981 |
Residual factor for significantly intense reflections | 0.0687 |
Weighted residual factors for significantly intense reflections | 0.1819 |
Weighted residual factors for all reflections included in the refinement | 0.2066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/7117423.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.