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Information card for entry 4066169
Preview
Coordinates | 4066169.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 B F35 |
---|---|
Calculated formula | C48 B F35 |
SMILES | Fc1c(C2=C(C(=C(C(=C(c3c(F)c(F)c(F)c(F)c3F)B2c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F |
Title of publication | Divergent Reactivity of Perfluoropentaphenylborole with Alkynes§ |
Authors of publication | Fan, Cheng; Piers, Warren E.; Parvez, Masood; McDonald, Robert |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 21 |
Pages of publication | 5132 |
a | 24.6372 ± 0.0011 Å |
b | 14.9207 ± 0.0006 Å |
c | 23.5877 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8670.9 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0541 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.1072 |
Weighted residual factors for all reflections included in the refinement | 0.1147 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4066169.html
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Users of the data should acknowledge the original authors of the
structural data.