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Information card for entry 4102817
Preview
Coordinates | 4102817.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H28 B2 F30 N O2 |
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Calculated formula | C46 H21 B2 F30 N O2 |
SMILES | Fc1c(c(F)c(F)c(F)c1F)[B]([O]=CO[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[NH2+]1C(CCCC1(C)C)(C)C |
Title of publication | Tandem Frustrated Lewis Pair/Tris(pentafluorophenyl)borane-Catalyzed Deoxygenative Hydrosilylation of Carbon Dioxide |
Authors of publication | Andreas Berkefeld; Warren E. Piers; Masood Parvez |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 10660 - 10661 |
a | 11.8006 ± 0.0003 Å |
b | 12.2935 ± 0.0003 Å |
c | 18.6776 ± 0.0003 Å |
α | 104.238 ± 0.0013° |
β | 106.01 ± 0.0014° |
γ | 95.319 ± 0.0012° |
Cell volume | 2486.72 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0634 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1374 |
Weighted residual factors for all reflections included in the refinement | 0.1468 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/4102817.html
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Users of the data should acknowledge the original authors of the
structural data.