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Information card for entry 4081035
Preview
Coordinates | 4081035.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H38 B Cl4 F4 N O0 P2 Ru |
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Calculated formula | C45 H38 B Cl4 F4 N P2 Ru |
SMILES | [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)(Cl)[n]2c(C=C([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C=1)cccc2.[B](F)(F)(F)[F-].ClCCl |
Title of publication | Mechanistic Study of Indolizine Heterocycle Formation by Ruthenium(II)-Assisted Three-Component Cross-Coupling/Cyclization |
Authors of publication | Zhang, Chunhong; Zhang, Hong; Zhang, Laiying; Wen, Ting Bin; He, Xumin; Xia, Haiping |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3738 |
a | 11.383 ± 0.0003 Å |
b | 12.83 ± 0.0005 Å |
c | 15.3047 ± 0.0004 Å |
α | 83.862 ± 0.003° |
β | 80.728 ± 0.002° |
γ | 87.617 ± 0.003° |
Cell volume | 2192.63 ± 0.12 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.05 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.1199 |
Weighted residual factors for all reflections included in the refinement | 0.1306 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
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/4081035.html
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