Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7706519
Preview
Coordinates | 7706519.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H4 Cl4 F5 O2 P S2 |
---|---|
Calculated formula | C20 H4 Cl4 F5 O2 P S2 |
SMILES | Clc1c2OP3(Oc2c(Cl)c(Cl)c1Cl)(c1c(F)c(F)c(F)c(F)c1F)c1ccsc1c1sccc31 |
Title of publication | Structure-reactivity studies on hypervalent square-pyramidal dithieno[3,2-b:2',3'-d]phospholes. |
Authors of publication | Asok, Nayanthara; Gaffen, Joshua R.; Pradhan, Ekadashi; Zeng, Tao; Baumgartner, Thomas |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 6 |
Pages of publication | 2243 - 2252 |
a | 10.6116 ± 0.0004 Å |
b | 18.4445 ± 0.0007 Å |
c | 11.5631 ± 0.0004 Å |
α | 90° |
β | 111.362 ± 0.001° |
γ | 90° |
Cell volume | 2107.71 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0813 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for significantly intense reflections | 0.1656 |
Weighted residual factors for all reflections included in the refinement | 0.1918 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
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/7706519.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.