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Information card for entry 4078958
Preview
Coordinates | 4078958.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H31 B F15 P |
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Calculated formula | C41 H31 B F15 P |
SMILES | [P+](c1c(F)c(F)c(c(F)c1F)[B](F)(c1c(F)c(F)c(F)c(F)c1F)C(=C(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F)(C(C)C)(C(C)C)C(C)C |
Title of publication | Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes |
Authors of publication | Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 15 |
Pages of publication | 5638 |
a | 11.0573 ± 0.0006 Å |
b | 13.0147 ± 0.0007 Å |
c | 13.9942 ± 0.0007 Å |
α | 81.889 ± 0.002° |
β | 88.595 ± 0.003° |
γ | 85.825 ± 0.002° |
Cell volume | 1988.23 ± 0.18 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.085 |
Residual factor for significantly intense reflections | 0.0579 |
Weighted residual factors for significantly intense reflections | 0.1539 |
Weighted residual factors for all reflections included in the refinement | 0.1728 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4078958.html
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Users of the data should acknowledge the original authors of the
structural data.