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Information card for entry 4107274
Preview
Coordinates | 4107274.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H43 B F15 N O2 W |
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Calculated formula | C53 H43 B F15 N O2 W |
SMILES | [W](=CC(C)(C)C)(n1c(C)ccc1C)(Oc1c(c2c(C)cc(C)cc2C)cccc1c1c(C)cc(C)cc1C)O[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 |
Title of publication | Z-Selective Olefin Metathesis Reactions Promoted by Tungsten Oxo Alkylidene Complexes |
Authors of publication | Dmitry V. Peryshkov; Richard R. Schrock; Michael K. Takase; Peter Müller; Amir H. Hoveyda |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 20754 - 20757 |
a | 13.2954 ± 0.0011 Å |
b | 21.6218 ± 0.0018 Å |
c | 16.9582 ± 0.0015 Å |
α | 90° |
β | 93.976 ± 0.002° |
γ | 90° |
Cell volume | 4863.2 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0391 |
Residual factor for significantly intense reflections | 0.0262 |
Weighted residual factors for significantly intense reflections | 0.0529 |
Weighted residual factors for all reflections included in the refinement | 0.0574 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4107274.html
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Users of the data should acknowledge the original authors of the
structural data.