Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064785
Preview
Coordinates | 4064785.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H18 B F10 S |
---|---|
Calculated formula | C33 H18 B F10 S |
SMILES | [S+]1(C[B](c2c(F)c(F)c(F)c(F)c2F)(C(=C1c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 |
Title of publication | The Thioether‒Methyleneborane (PhSCH2B(C6F5)2)2: Synthesis and Reactivity with Donors and Alkynes |
Authors of publication | Tanur, Cheryl A.; Stephan, Douglas W. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 13 |
Pages of publication | 3652 |
a | 31.0478 ± 0.0012 Å |
b | 11.4951 ± 0.0004 Å |
c | 18.9964 ± 0.0007 Å |
α | 90° |
β | 122.759 ± 0.002° |
γ | 90° |
Cell volume | 5701.5 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0668 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1078 |
Weighted residual factors for all reflections included in the refinement | 0.12 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4064785.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.