Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4032317
Preview
Coordinates | 4032317.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H10 Br Cl F4 |
---|---|
Calculated formula | C32 H20 Br2 Cl2 F8 |
Title of publication | Stereochemically Defined Various Multisubstituted Alkenes Bearing a Tetrafluoroethylene (-CF2CF2-) Fragment. |
Authors of publication | Sakaguchi, Yukiho; Yamada, Shigeyuki; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 3 |
Pages of publication | 1618 - 1631 |
a | 5.3972 ± 0.0004 Å |
b | 9.9775 ± 0.0007 Å |
c | 14.1887 ± 0.001 Å |
α | 97.739 ± 0.007° |
β | 93.504 ± 0.007° |
γ | 99.049 ± 0.007° |
Cell volume | 745.04 ± 0.1 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 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 all reflections | 0.034 |
Residual factor for significantly intense reflections | 0.0292 |
Weighted residual factors for significantly intense reflections | 0.0673 |
Weighted residual factors for all reflections included in the refinement | 0.0697 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71075 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/4032317.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.