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Information card for entry 4115698
Preview
Coordinates | 4115698.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H35 B F4 O P Rh |
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Calculated formula | C20 H35 B F4 O P Rh |
SMILES | [Rh]12([P](Cc3c1c(C[O]2C)c(C)cc3C)(C(C)(C)C)C(C)(C)C)(C)[F][B](F)(F)F |
Title of publication | Comparison of Steric and Electronic Requirements for C-C and C-H Bond Activation. Chelating vs Nonchelating Case |
Authors of publication | Boris Rybtchinski; Stephan Oevers; Michael Montag; Arkadi Vigalok; Haim Rozenberg; Jan M. L. Martin; David Milstein |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2001 |
Journal volume | 123 |
Pages of publication | 9064 - 9077 |
a | 13.628 ± 0.0003 Å |
b | 11.858 ± 0.0003 Å |
c | 15.066 ± 0.0004 Å |
α | 90° |
β | 114.705 ± 0.0015° |
γ | 90° |
Cell volume | 2211.84 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0302 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.0578 |
Weighted residual factors for all reflections included in the refinement | 0.0612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.7107 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/4115698.html
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